data_2l3b_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 2l3b _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 ' 13' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--O 1.236 0.381 0 CA-C-O 121.241 0.543 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -107.81 134.35 50.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.876 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.22 113.01 43.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -86.44 110.45 19.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.515 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 74.9 p -109.84 139.78 44.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.546 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 7.2 ptp -71.23 145.5 91.03 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.086 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.69 110.9 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.623 2.216 . . . . 0.0 111.711 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -78.53 158.89 75.58 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.128 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -55.58 133.54 58.68 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.526 2.151 . . . . 0.0 111.931 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -89.98 -14.78 33.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.293 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -129.39 132.53 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.697 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.86 152.12 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.461 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -113.93 170.41 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.7 115.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.5 50.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.72 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.81 144.12 39.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.2 m -122.54 124.65 44.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.53 123.51 36.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.374 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -89.56 100.55 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 44.6 mt -93.68 98.59 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.252 0.548 . . . . 0.0 110.675 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HB3' ' HG2' ' A' ' 18' ' ' MET . 60.5 ttp85 -80.26 117.38 20.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.18 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.8 m -119.14 131.95 55.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -129.19 114.34 16.18 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.9 tt -88.63 116.73 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -176.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -91.88 113.63 25.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.568 ' NH1' ' HH ' ' A' ' 47' ' ' TYR . 17.6 ttt180 . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.543 HG23 ' HB3' ' A' ' 102' ' ' SER . 42.9 m . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 120.871 0.367 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HE2' ' HB2' ' A' ' 46' ' ' LYS . 2.6 mppt? -96.13 142.36 28.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.568 ' HH ' ' NH1' ' A' ' 38' ' ' ARG . 89.9 m-85 -98.17 141.22 31.37 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.499 ' HB3' HD11 ' A' ' 73' ' ' LEU . 95.1 m-85 -114.19 124.43 52.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.0 tt -106.88 129.95 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.433 0.635 . . . . 0.0 111.419 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 50' ' ' ARG . 44.7 ttp180 -150.93 140.57 21.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -133.92 144.0 48.57 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.831 -176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -107.76 131.62 54.25 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -118.58 102.62 49.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.5 Cg_exo -61.85 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.9 2.4 . . . . 0.0 111.453 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.21 -73.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.226 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.46 -26.33 3.07 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 113.159 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB2' ' OG ' ' A' ' 89' ' ' SER . . . -128.09 172.95 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.308 0.554 . . . . 0.0 111.483 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 126.6 3.01 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.688 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -94.92 111.82 23.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.68 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 83' ' ' LEU . 51.7 tp -106.91 111.8 24.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HG2' HG22 ' A' ' 67' ' ' VAL . 58.1 mtmt -116.04 143.74 45.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.7 ttm -76.42 156.63 32.97 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' A' ' 82' ' ' ARG . 48.4 t -55.15 -28.05 49.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.87 0.367 . . . . 0.0 111.42 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.07 3.68 29.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.701 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.79 -3.81 65.45 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.093 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -71.75 116.49 12.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.51 HG22 ' HG2' ' A' ' 61' ' ' LYS . 96.8 t -76.95 126.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.5 mt -101.94 118.89 37.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 0.0 110.861 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -92.49 134.27 28.31 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.897 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.58 -33.62 96.84 Favored 'Trans proline' 0 N--CA 1.474 0.36 0 C-N-CA 123.185 2.59 . . . . 0.0 113.412 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -85.71 -7.93 58.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.308 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 4.1 t70 -99.41 -172.46 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 48' ' ' PHE . 54.4 tp -148.54 117.16 6.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CE1' ' HB3' ' A' ' 72' ' ' ASP . 79.8 m-85 -119.66 145.79 40.01 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.851 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 2.2 Cg_endo -82.57 141.27 11.01 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.885 2.39 . . . . 0.0 111.731 175.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.6 145.42 54.65 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.681 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.98 -10.24 18.05 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.717 2.278 . . . . 0.0 112.934 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -164.63 35.42 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.58 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -78.85 -31.38 45.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 0.0 110.555 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.7 p -96.05 98.47 10.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -138.17 153.27 49.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.35 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.517 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 91.1 mtm180 -129.71 143.09 50.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.2 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 60' ' ' LEU . 89.8 mt -119.64 129.18 54.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.696 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 90.8 m-85 -107.46 103.78 13.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.959 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.512 ' HB2' HD12 ' A' ' 60' ' ' LEU . 68.7 t80 -100.33 112.37 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.459 -178.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -93.44 108.42 20.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.888 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -71.82 126.25 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.0 20.79 11.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.331 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.465 ' OG ' ' HB2' ' A' ' 57' ' ' ALA . 20.0 m -127.38 153.63 46.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.508 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -98.08 10.88 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.053 0.454 . . . . 0.0 111.136 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -163.38 1.04 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.96 113.48 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.627 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.8 mp0 -80.59 110.08 15.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.28 0.562 . . . . 0.0 109.573 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.525 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 17.5 m -109.44 110.97 22.24 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.783 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -120.67 108.88 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.22 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 44.9 t0 -97.58 110.15 22.77 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.9 t -100.88 130.71 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.513 ' HB3' HD13 ' A' ' 106' ' ' LEU . 43.2 m-85 -111.74 122.66 48.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.376 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -108.61 111.9 23.96 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 173.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -103.43 122.71 45.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.025 0.441 . . . . 0.0 110.767 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.48 156.77 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.794 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.543 ' HB3' HG23 ' A' ' 45' ' ' THR . 30.0 t -68.33 -26.83 65.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.387 -176.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -81.45 -5.88 58.37 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 111.093 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.79 7.3 39.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -88.39 128.35 35.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.338 0.569 . . . . 0.0 109.882 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 98' ' ' TYR . 52.2 tp -106.91 123.76 48.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.48 109.68 20.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.822 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -105.9 133.75 50.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.0 111.278 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.26 109.76 12.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.56 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 4.4 m -94.02 113.67 25.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.335 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -104.22 125.92 50.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.3 p -107.33 108.51 19.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.982 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.627 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 74.2 m-85 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.208 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HE2' HD13 ' A' ' 15' ' ' ILE . 33.0 p90 . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 t -107.32 117.62 34.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.928 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.586 ' HB ' HE22 ' A' ' 107' ' ' GLN . 61.1 mt -103.72 108.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -99.92 156.59 17.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.216 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -131.3 150.89 51.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.461 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -73.91 150.62 88.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.077 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.59 107.71 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.06 161.29 68.87 Favored Pre-proline 0 C--O 1.238 0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.285 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.15 149.53 62.84 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.777 2.318 . . . . 0.0 111.749 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -83.11 -12.29 57.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -174.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -151.4 153.97 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -136.96 137.72 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.882 0.372 . . . . 0.0 111.136 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 54.5 tttm -81.72 154.2 26.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.785 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.87 119.8 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.49 -18.05 55.82 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -175.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 36.9 tt0 -77.66 129.11 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.1 m -108.69 129.7 55.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.054 0.454 . . . . 0.0 111.095 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 130.12 55.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.26 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.67 117.77 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 110.384 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.636 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 51.6 mt -101.26 99.68 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -80.28 128.49 33.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 t -118.73 150.82 39.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.427 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -140.01 113.4 8.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -88.66 108.78 19.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.12 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -91.58 106.69 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.461 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.705 HH21 ' HE2' ' A' ' 47' ' ' TYR . 68.9 mtt85 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 171.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -90.59 129.08 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.705 ' HE2' HH21 ' A' ' 38' ' ' ARG . 68.8 m-85 -100.3 129.79 46.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.405 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.472 ' HB3' HD12 ' A' ' 73' ' ' LEU . 72.2 m-85 -118.46 139.92 50.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -176.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.4 tt -115.07 133.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 111.052 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' NE ' HD13 ' A' ' 73' ' ' LEU . 14.3 ptp180 -148.75 136.15 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.8 p90 -120.71 156.84 30.93 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.636 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -135.61 108.96 7.82 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.789 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' HG2' ' HE2' ' A' ' 51' ' ' TYR . 4.6 pt20 -104.52 114.3 64.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.186 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.72 -33.68 97.1 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.62 2.214 . . . . 0.0 111.051 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -86.0 106.82 17.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.509 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.39 63.85 4.36 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.809 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -158.97 87.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.991 0.424 . . . . 0.0 110.425 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.89 147.86 7.7 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.801 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.415 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 91.6 m -118.75 112.3 19.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.754 0.311 . . . . 0.0 110.857 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HG ' HD12 ' A' ' 68' ' ' LEU . 55.9 tp -111.28 109.31 19.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.891 0.377 . . . . 0.0 110.228 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 36.8 mtmm -116.05 145.87 42.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.015 0.436 . . . . 0.0 110.689 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.2 ttp -89.47 152.81 21.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -57.53 -23.95 53.29 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.03 -20.11 65.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.939 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.96 -1.27 38.45 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.1 m -73.61 121.65 21.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.992 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 55.4 t -80.36 120.82 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.559 HD12 ' HG ' ' A' ' 60' ' ' LEU . 73.6 mt -90.22 129.37 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -176.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 3.9 mm? -104.26 155.25 37.5 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.559 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 40.5 Cg_endo -68.76 131.25 22.23 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.233 1.955 . . . . 0.0 111.629 174.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.3 m120 74.58 -35.22 0.29 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.259 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HB2' ' HB2' ' A' ' 69' ' ' LEU . 2.8 m-20 -64.81 143.06 58.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.636 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.472 HD12 ' HB3' ' A' ' 48' ' ' PHE . 23.0 tp -105.78 129.41 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.545 -170.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 60.7 m-85 -123.25 135.94 26.52 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.631 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.4 Cg_exo -76.26 139.01 20.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.796 2.331 . . . . 0.0 111.924 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.2 117.36 68.13 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.661 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -87.18 1.14 7.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.169 2.579 . . . . 0.0 112.288 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.55 179.09 30.15 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.043 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 8.5 pt-20 -124.42 -18.54 5.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.017 0.436 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -110.3 31.11 6.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.281 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -66.64 151.61 47.02 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.181 -174.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -111.39 130.07 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.57 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.636 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.5 mt -102.9 138.34 39.91 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.317 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -118.49 102.85 9.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.106 0.479 . . . . 0.0 110.474 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -100.92 117.57 35.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.868 -177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.415 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.7 m -99.21 121.41 41.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.744 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 20.3 t -75.62 126.73 31.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -110.71 -4.04 15.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.211 0.529 . . . . 0.0 110.22 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.457 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . 42.1 t -112.57 148.68 34.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.822 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -111.61 8.56 20.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.467 0.651 . . . . 0.0 109.47 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -111.52 -165.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.024 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -56.58 118.09 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.729 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 9.8 tt0 -119.4 114.35 22.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.921 0.391 . . . . 0.0 110.191 -173.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 m -112.83 121.63 45.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.215 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -128.17 113.67 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.346 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -102.7 113.27 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.48 126.14 57.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -175.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.98 123.79 48.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -109.31 113.51 26.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 173.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.476 ' HB3' HD23 ' A' ' 106' ' ' LEU . 3.9 pt20 -115.36 145.17 42.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.349 0.595 . . . . 0.0 111.54 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 19.4 t70 -108.6 161.55 14.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.229 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -65.86 -25.7 67.31 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -79.34 -23.53 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.462 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.78 -3.08 7.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.982 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.497 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 13.7 mm100 -63.52 142.61 58.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.724 0.297 . . . . 0.0 110.343 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.8 tm? -142.4 116.62 9.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.586 HE22 ' HB ' ' A' ' 15' ' ' ILE . 20.7 tt0 -113.92 118.5 34.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -105.15 126.76 52.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.006 0.432 . . . . 0.0 110.921 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -114.81 110.4 19.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.01 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 m -92.74 113.49 25.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -97.82 119.35 36.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.461 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.4 m -108.67 110.57 22.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.173 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.729 ' HB2' ' HB3' ' A' ' 93' ' ' GLN . 83.1 m-85 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.823 ' HA ' HE22 ' A' ' 107' ' ' GLN . 6.3 p -145.07 130.22 18.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.483 -177.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.0 mt -106.59 117.17 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 0.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.41 113.4 25.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.022 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -96.75 133.86 40.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.6 mmt -72.24 144.84 87.57 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.495 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.74 130.84 31.84 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.207 2.604 . . . . 0.0 112.738 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.511 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 27.5 m -99.76 161.38 24.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 25.9 Cg_endo -62.97 165.03 17.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.933 2.422 . . . . 0.0 112.234 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.64 -31.85 18.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 149.87 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.204 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.7 mt -127.19 143.1 51.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 87' ' ' SER . 49.1 mtpt -98.03 165.95 11.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.976 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.97 114.39 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.37 -3.57 59.78 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.804 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . 8.3 tp10 -83.56 125.3 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 28.0 m -103.93 118.95 37.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.925 0.393 . . . . 0.0 111.086 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.37 123.16 36.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.214 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -86.31 101.22 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 49.3 mt -93.14 99.08 9.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -81.88 126.69 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.2 m -113.17 127.17 56.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.345 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.63 111.72 22.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.654 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -86.65 123.32 31.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.05 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -81.77 107.38 14.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.135 -178.114 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -107.7 140.22 41.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.382 0.611 . . . . 0.0 111.674 -169.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 1.1 m-85 -97.75 138.54 34.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.532 -175.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 73' ' ' LEU . 81.8 m-85 -125.58 149.9 47.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.76 0.314 . . . . 0.0 110.336 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.552 ' HB ' HD23 ' A' ' 76' ' ' LEU . 16.7 tt -121.77 134.75 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.212 0.53 . . . . 0.0 110.87 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 9.0 ttp180 -153.73 117.39 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.166 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 42.3 p90 -110.45 152.8 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.36 -176.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -122.24 121.03 35.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.951 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -110.96 94.02 19.19 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HD2' ' O ' ' A' ' 94' ' ' THR . 36.8 Cg_endo -67.35 -47.77 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.114 1.876 . . . . 0.0 112.134 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -144.17 120.78 11.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.99 -176.93 30.11 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 89' ' ' SER . . . -153.81 101.75 2.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.921 0.391 . . . . 0.0 110.606 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.437 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . -156.89 148.93 19.42 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.895 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -97.11 111.92 23.93 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -95.02 110.71 22.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.072 0.463 . . . . 0.0 110.522 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.035 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.472 ' SD ' ' HD3' ' A' ' 77' ' ' PRO . 38.1 ttp -96.74 165.07 12.3 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.526 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 2.4 p -55.31 -23.62 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.33 -4.69 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.686 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 7.35 76.86 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.8 m -80.38 119.17 22.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.123 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -76.94 112.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.61 152.56 27.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.2 156.06 75.23 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 7.6 Cg_exo -74.09 152.36 45.56 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.723 2.282 . . . . 0.0 112.247 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 94.3 m-20 77.33 -52.68 0.55 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.628 0.771 . . . . 0.0 112.31 177.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.21 165.25 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.469 HD11 ' HB3' ' A' ' 48' ' ' PHE . 36.8 tp -119.32 137.4 53.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -167.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -124.24 147.87 56.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.231 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.98 145.82 14.21 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.942 2.428 . . . . 0.0 112.79 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.552 HD23 ' HB ' ' A' ' 49' ' ' ILE . 87.5 mt -88.08 146.29 38.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD3' ' SD ' ' A' ' 62' ' ' MET . 58.2 Cg_endo -73.05 -19.95 22.38 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.007 2.472 . . . . 0.0 113.778 -175.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.23 -156.1 27.78 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.532 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -72.28 -47.81 47.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.427 . . . . 0.0 110.93 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -106.42 131.49 53.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -156.15 171.87 19.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 55.8 mtt180 -118.83 137.17 53.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.52 -177.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.45 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 79.4 mt -112.76 115.34 28.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 172.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.53 101.55 13.02 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.085 0.469 . . . . 0.0 110.462 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.437 ' CZ ' ' HA3' ' A' ' 58' ' ' GLY . 83.7 t80 -96.16 100.68 12.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.388 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 44.1 m -86.1 109.19 18.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.842 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 40.8 t -67.53 144.16 55.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.794 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.85 13.21 5.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 61.3 p -145.0 159.48 42.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.8 t -101.58 -9.43 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.841 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.85 177.54 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.981 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 151.18 45.82 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.603 ' O ' ' HA ' ' A' ' 112' ' ' SER . 88.6 mt-30 -128.04 115.87 19.14 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 -176.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.459 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 25.9 m -109.64 105.68 15.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.127 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.0 t -121.28 112.87 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.42 110.88 21.97 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.69 121.31 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.979 0.419 . . . . 0.0 110.598 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 40.5 m-85 -94.39 122.72 37.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.591 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -109.34 111.95 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HB3' HD23 ' A' ' 106' ' ' LEU . 16.1 pt20 -121.8 140.16 52.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.798 -174.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -115.74 158.65 22.51 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.669 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -71.89 -3.78 24.4 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -79.32 -17.83 53.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 109.457 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.7 -8.22 34.22 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.65 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.43 142.03 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 110.328 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.6 tm? -137.83 118.7 14.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.498 -176.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.823 HE22 ' HA ' ' A' ' 14' ' ' SER . 17.3 mt-30 -118.08 112.76 20.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.357 0.599 . . . . 0.0 110.827 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -93.3 112.4 24.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.392 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -105.46 112.56 25.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.009 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.5 m -92.4 113.41 25.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.121 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.78 121.6 41.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.222 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.603 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 10.4 t -121.54 108.69 13.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.898 179.802 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.588 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 95.5 m-85 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.2 m -154.29 156.29 36.71 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 99' ' ' PHE . 50.5 mm -112.5 115.34 49.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.319 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.49 116.82 29.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 0.0 110.271 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.477 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 26.8 p -101.8 137.31 40.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.201 -175.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.594 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 85.4 mtp -80.87 144.74 56.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.6 121.53 7.35 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.827 2.351 . . . . 0.0 112.689 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.527 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 33.8 m -83.32 164.89 43.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.432 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.527 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 10.9 Cg_endo -55.79 133.11 56.09 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.473 2.115 . . . . 0.0 111.059 173.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -86.9 3.64 44.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.51 126.55 13.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.047 0.451 . . . . 0.0 110.72 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 30' ' ' ALA . 90.0 mt -126.86 140.24 52.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -119.02 168.78 10.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.38 120.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.56 60.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.308 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -89.45 142.67 27.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.792 0.329 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 31.1 m -108.99 123.78 49.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.039 0.447 . . . . 0.0 110.654 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HB3' HD22 ' A' ' 24' ' ' LEU . . . -95.36 128.27 42.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' CD ' ' HD2' ' A' ' 82' ' ' ARG . 37.0 tt0 -89.61 104.5 17.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.058 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.684 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 55.1 mt -89.96 102.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.8 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 55.7 mtt180 -85.41 119.61 25.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.189 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.69 134.22 55.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.056 -173.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -123.56 114.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.168 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.4 tt -75.77 124.19 26.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.122 0.487 . . . . 0.0 110.586 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -102.65 111.19 23.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.229 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' HD3' ' OE2' ' A' ' 79' ' ' GLU . 16.2 ptt180 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 120.71 0.29 . . . . 0.0 110.979 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.445 -0.677 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.9 130.16 36.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.061 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.455 ' HB2' HD12 ' A' ' 76' ' ' LEU . 10.7 m-85 -97.51 160.84 14.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.576 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -120.02 135.99 54.72 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.861 0.363 . . . . 0.0 110.4 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.418 ' HB ' HD21 ' A' ' 76' ' ' LEU . 20.3 tt -104.95 137.09 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.211 0.529 . . . . 0.0 110.401 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 1.128 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 29.7 tpt180 -128.4 149.84 50.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.002 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HE2' HD13 ' A' ' 68' ' ' LEU . 61.2 m-85 -136.69 158.33 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.942 0.401 . . . . 0.0 111.742 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.512 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 91.6 t80 -151.58 130.24 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.258 175.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.77 106.82 12.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.431 0.634 . . . . 0.0 111.837 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.27 -32.34 2.41 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.888 2.392 . . . . 0.0 112.331 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.73 126.46 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.802 ' HA3' ' HG2' ' A' ' 93' ' ' GLN . . . 141.35 169.04 11.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.394 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.62 125.79 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.88 163.35 36.78 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.568 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.491 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 40.0 m -112.57 112.55 24.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.509 HD22 ' CZ ' ' A' ' 51' ' ' TYR . 64.9 tp -111.87 123.6 50.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.456 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HG2' HG22 ' A' ' 67' ' ' VAL . 56.1 mtmt -134.88 156.0 49.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.189 0.519 . . . . 0.0 110.808 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.5 ttm -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.6 t -58.77 -24.99 62.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 111.518 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.43 1.37 25.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.359 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.42 11.96 70.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.64 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.0 m -88.11 118.05 27.42 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 122.912 -0.17 . . . . 0.0 110.597 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG22 ' HG2' ' A' ' 61' ' ' LYS . 85.1 t -67.96 131.18 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.519 HD13 ' HE2' ' A' ' 51' ' ' TYR . 70.3 mt -106.72 108.84 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -173.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 89.5 mt -104.8 146.61 32.97 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.459 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 8.1 Cg_exo -73.87 12.0 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.19 2.594 . . . . 0.0 112.622 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -92.39 -30.91 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.01 177.13 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 111.459 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 50' ' ' ARG . 18.6 mt -108.78 136.47 48.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.568 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.2 m-85 -116.4 128.15 26.21 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.459 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 13.5 Cg_exo -69.44 128.17 15.92 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.8 2.333 . . . . 0.0 111.934 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.455 HD12 ' HB2' ' A' ' 47' ' ' TYR . 95.6 mt -79.49 118.27 71.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.595 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -81.27 6.76 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.914 2.409 . . . . 0.0 112.278 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.03 165.33 38.06 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.314 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 38.3 mt-10 -106.6 -23.77 12.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -103.62 99.6 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -140.53 173.52 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 111.69 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.422 ' HD2' ' CD ' ' A' ' 31' ' ' GLU . 85.7 mtm180 -130.02 133.99 47.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.454 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.684 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.4 mt -106.05 125.76 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.933 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -105.22 111.1 23.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.2 0.524 . . . . 0.0 111.177 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -114.49 111.94 22.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.904 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 38.8 m -86.01 111.3 20.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 p -74.31 114.76 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 110.706 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.37 21.07 16.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.301 0.572 . . . . 0.0 110.43 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.4 m -115.69 145.83 42.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.56 -16.53 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.522 . . . . 0.0 110.317 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -116.06 -166.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.97 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 3.8 pt20 -63.12 152.41 37.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.128 0.489 . . . . 0.0 111.653 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.802 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 0.1 OUTLIER -145.75 118.55 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.13 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.0 m -102.35 121.78 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.992 0.425 . . . . 0.0 111.416 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.0 t -111.0 112.8 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.856 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 7.0 t70 -91.91 111.48 23.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.45 129.33 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.637 -171.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 1.128 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 68.4 m-85 -113.98 130.3 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.156 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.516 ' CG ' HG13 ' A' ' 15' ' ' ILE . 97.4 m-85 -113.42 111.65 22.31 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -115.56 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 0.0 111.42 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.33 164.7 14.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.052 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -62.45 -31.79 72.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -79.49 -24.83 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.57 0.224 . . . . 0.0 110.622 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 122.16 12.6 5.22 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.486 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.588 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 6.7 tp60 -75.75 119.69 20.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.572 HD13 ' HB3' ' A' ' 98' ' ' TYR . 45.0 tp -117.04 125.85 51.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.028 -173.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -109.94 128.67 55.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.184 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -108.19 116.91 32.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.453 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 109.22 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.685 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.2 m -97.03 117.59 31.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.397 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.477 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.0 m-85 -103.82 117.84 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 p -118.37 108.22 14.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.1 0.476 . . . . 0.0 110.285 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 92.2 m-85 . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -96.73 112.92 24.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.772 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 HD12 ' HG3' ' A' ' 107' ' ' GLN . 55.1 mt -108.92 110.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 152.96 26.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.404 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.1 p -119.41 139.27 52.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.202 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 96.5 mmm -75.59 126.01 87.91 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.81 126.58 13.02 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.813 3.009 . . . . 0.0 113.923 -171.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.36 158.78 54.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.245 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -68.41 146.93 70.22 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.316 2.011 . . . . 0.0 112.024 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -84.61 -27.23 27.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 0.0 109.951 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -107.0 122.88 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.251 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.11 107.64 14.74 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.638 0.732 . . . . 0.0 111.269 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 50.5 tptt -68.43 148.79 50.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.605 176.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.95 111.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.83 4.1 48.79 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.512 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 8.6 tp10 -82.46 151.34 26.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -114.79 111.29 21.01 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.47 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 85' ' ' TYR . . . -82.77 97.63 8.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.517 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -79.62 109.63 14.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.643 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 32.1 mt -106.46 99.12 7.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -88.78 118.49 28.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.98 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.4 m -116.38 145.06 43.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.754 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 53.1 tt0 -136.11 127.24 28.01 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.195 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -94.87 123.45 38.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.187 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -101.79 112.84 25.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 176.033 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -90.5 137.24 32.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.674 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.686 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 47.7 m-85 -100.99 161.37 13.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' HB3' HD12 ' A' ' 73' ' ' LEU . 96.3 m-85 -131.54 143.87 50.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.705 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.417 ' HB ' HD22 ' A' ' 76' ' ' LEU . 13.5 tt -122.38 136.05 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.042 0.448 . . . . 0.0 110.673 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -150.05 117.33 6.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.696 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.0 p90 -108.06 147.97 30.43 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.936 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -117.06 126.36 52.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HB2' ' HE2' ' A' ' 51' ' ' TYR . 59.6 tt0 -126.94 79.19 73.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 -175.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.56 -15.15 7.55 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.558 2.172 . . . . 0.0 112.114 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.83 100.76 4.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.221 -171.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.669 ' HA3' ' HG3' ' A' ' 93' ' ' GLN . . . 136.41 -178.97 18.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.871 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.43 -174.73 3.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.63 -163.57 12.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.421 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.7 m -147.64 131.82 17.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.22 0.208 . . . . 0.0 110.474 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.5 tp -112.7 124.53 52.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.524 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -120.75 155.81 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.6 ttm -94.64 165.91 12.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.583 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 11.9 p -54.92 -28.02 47.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.43 5.0 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.265 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.37 0.86 86.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.117 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -72.71 118.18 15.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.484 0.183 . . . . 0.0 110.812 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.15 130.95 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.81 149.59 21.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 95.4 mt -122.07 148.72 52.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.405 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.0 Cg_exo -65.4 128.48 20.38 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.84 2.36 . . . . 0.0 112.577 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 67.33 14.25 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.738 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.13 126.57 52.37 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 48' ' ' PHE . 20.9 tp -88.72 112.49 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.148 0.499 . . . . 0.0 111.266 -172.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -106.93 149.95 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.29 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.42 149.94 19.31 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.255 1.97 . . . . 0.0 112.621 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.686 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.9 mt -99.04 122.33 52.8 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.084 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.18 6.02 5.87 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.998 2.465 . . . . 0.0 113.544 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.97 179.25 48.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.386 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.583 ' O ' ' HA ' ' A' ' 35' ' ' GLN . 25.7 mt-10 -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.171 0.51 . . . . 0.0 109.949 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 34.7 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.197 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -71.77 151.38 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.345 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -120.62 136.09 54.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.45 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.9 mt -104.17 140.4 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.663 0.268 . . . . 0.0 110.644 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.583 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 66.3 m-85 -110.65 101.53 10.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.452 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 69.0 t80 -96.83 128.1 43.46 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.571 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.7 m -106.8 125.6 51.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.798 0.332 . . . . 0.0 110.771 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -99.01 133.76 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.71 10.11 10.92 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 t -164.63 -172.58 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -130.2 7.39 5.02 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.41 177.31 8.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.617 -0.677 . . . . 0.0 111.315 -176.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -75.7 127.53 33.24 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.882 0.373 . . . . 0.0 111.52 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.669 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 6.9 tt0 -129.59 146.8 51.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.371 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -128.7 114.52 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.253 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.1 t -120.13 128.39 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.746 0.307 . . . . 0.0 111.396 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.3 111.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.6 t -104.16 116.39 47.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.433 ' HD2' HD12 ' A' ' 106' ' ' LEU . 86.5 m-85 -103.03 125.19 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 61.8 m-85 -109.5 111.76 23.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 171.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.77 146.28 39.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -172.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -114.35 178.84 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.608 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -71.5 -18.95 62.26 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.426 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 87.5 t80 -79.51 -20.52 47.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 0.0 110.31 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.4 1.18 43.94 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.572 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -78.1 114.42 16.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.433 HD12 ' HD2' ' A' ' 98' ' ' TYR . 3.4 pp -117.72 139.29 51.24 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.207 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.47 ' HG3' HD12 ' A' ' 15' ' ' ILE . 14.9 mm100 -109.2 109.55 20.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -95.96 116.15 28.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.659 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.5 mt -105.22 120.18 40.89 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.439 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.2 m -92.84 114.97 27.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.073 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -109.75 119.46 39.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.2 t -92.51 107.78 19.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 121.331 0.586 . . . . 0.0 111.639 -174.692 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.709 0.29 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.5 t -119.5 128.04 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.006 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 36' ' ' LEU . 54.8 mt -92.34 119.98 40.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -94.52 141.87 28.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -125.53 141.48 52.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.905 0.383 . . . . 0.0 111.295 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.464 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.1 mpt? -77.78 130.68 72.63 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.716 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -59.18 144.04 99.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.207 2.605 . . . . 0.0 112.863 -175.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.31 155.28 63.29 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.446 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.83 151.29 74.19 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.423 2.082 . . . . 0.0 111.307 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -89.2 9.83 24.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.913 0.387 . . . . 0.0 110.007 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -135.91 111.91 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD23 ' HB3' ' A' ' 30' ' ' ALA . 32.2 mt -133.83 131.31 39.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.286 0.565 . . . . 0.0 111.299 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 4.6 ttmp? -92.41 153.84 18.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.083 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.24 123.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.65 66.14 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.726 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 29.5 tt0 -94.16 154.75 17.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -113.42 142.28 46.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -125.8 119.24 27.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.937 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 9.4 pt-20 -81.74 103.84 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.794 0.807 . . . . 0.0 111.072 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -84.05 99.51 6.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.278 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 28.1 mtp180 -76.07 133.76 40.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.247 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 m -130.47 127.39 39.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.909 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.486 ' HG3' HG23 ' A' ' 80' ' ' THR . 48.4 tt0 -127.26 112.55 15.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.082 0.468 . . . . 0.0 110.364 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . 8.0 tt -78.89 124.5 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.795 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -75.57 113.32 12.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.193 0.52 . . . . 0.0 109.929 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.362 -171.851 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -87.16 131.15 34.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 10.9 m-85 -103.05 130.0 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.457 ' HB3' HD12 ' A' ' 73' ' ' LEU . 95.9 m-85 -119.85 148.32 43.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.93 0.395 . . . . 0.0 111.319 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.426 ' HB ' HD21 ' A' ' 76' ' ' LEU . 11.0 tt -121.07 138.08 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -155.07 112.81 3.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.459 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -110.4 161.44 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.297 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -130.36 136.39 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.298 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.615 HE21 ' HB3' ' A' ' 55' ' ' ASP . 52.4 tt0 -124.63 111.63 27.67 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.279 -178.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.581 ' HD2' ' O ' ' A' ' 94' ' ' THR . 39.3 Cg_exo -61.95 -31.69 84.48 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.498 2.132 . . . . 0.0 111.448 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.615 ' HB3' HE21 ' A' ' 53' ' ' GLN . 19.3 t70 -71.86 160.55 32.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.673 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -111.11 8.12 29.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.276 -0.964 . . . . 0.0 114.133 -172.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.69 104.41 4.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.951 0.876 . . . . 0.0 112.222 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.3 154.92 15.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 m -140.36 112.52 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.564 0.682 . . . . 0.0 111.47 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.2 tp -98.4 126.29 43.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -116.59 153.5 32.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.04 0.447 . . . . 0.0 110.62 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.5 ttm -88.29 160.34 17.7 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.645 ' HB3' ' HG3' ' A' ' 82' ' ' ARG . 3.2 p -48.87 -34.0 11.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.13 -23.35 62.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.374 . . . . 0.0 111.521 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.82 -6.08 25.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.781 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.8 m -64.23 120.05 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.099 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.6 t -76.97 125.68 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.5 mt -95.24 126.41 40.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -94.52 146.05 30.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 26.3 Cg_endo -62.98 140.81 81.18 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.38 2.054 . . . . 0.0 111.864 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 12.7 m120 73.6 -5.79 1.92 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.622 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.83 156.99 16.35 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 48' ' ' PHE . 28.3 tp -111.71 125.9 54.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.067 0.461 . . . . 0.0 110.999 -173.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.4 m-85 -125.77 144.83 49.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.277 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.8 Cg_exo -82.03 142.16 12.2 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.829 2.353 . . . . 0.0 112.063 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.426 HD21 ' HB ' ' A' ' 49' ' ' ILE . 96.9 mt -83.66 142.96 43.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.26 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.1 -8.39 22.76 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.8 2.333 . . . . 0.0 113.481 -175.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.01 34.81 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.97 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.59 -38.86 87.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.371 . . . . 0.0 111.119 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.486 HG23 ' HG3' ' A' ' 35' ' ' GLN . 11.5 p -107.08 116.5 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -155.07 -174.22 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.645 ' HG3' ' HB3' ' A' ' 63' ' ' SER . 3.3 ptp85 -147.82 144.89 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.948 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -110.78 119.54 39.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.075 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.547 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 82.1 m-85 -87.33 97.62 10.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.85 0.357 . . . . 0.0 110.195 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -80.67 123.84 28.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.298 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.2 m -98.84 110.13 22.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.157 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -72.8 110.17 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.198 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.03 -16.68 24.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.1 m -136.76 143.02 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.644 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.8 m -105.37 -2.05 24.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -69.27 176.62 3.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.986 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.528 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 34.3 tt0 -75.02 102.3 4.79 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.454 0.645 . . . . 0.0 110.382 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 112' ' ' SER . 18.1 pt20 -117.15 148.39 41.62 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.259 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.581 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 28.3 m -124.73 118.83 27.31 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.003 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.64 123.68 72.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.035 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -109.54 111.28 22.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.2 t -103.34 122.26 55.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -100.99 125.15 47.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.929 0.395 . . . . 0.0 110.429 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 90.2 m-85 -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 29.0 pt20 -131.73 143.09 50.0 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.447 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -133.7 172.19 13.11 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.466 -178.072 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -75.65 -11.52 60.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.75 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.447 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 53.0 t80 -78.38 -24.18 46.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.118 0.485 . . . . 0.0 109.805 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.46 6.83 12.82 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.986 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 6.1 tt0 -70.8 135.05 47.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 99' ' ' PHE . 54.3 tp -146.03 114.3 6.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.72 129.08 47.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.239 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.51 113.64 27.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.254 0.549 . . . . 0.0 110.014 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.2 mt -103.93 109.29 20.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.355 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -103.43 113.69 27.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.203 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -119.85 128.69 53.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 110.989 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 7.8 p -122.71 141.18 52.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.579 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 80.6 m-85 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p -119.22 133.79 55.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 110.956 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.9 mt -102.98 115.49 45.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.049 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -85.73 115.58 23.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.843 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.6 p -108.25 121.85 45.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.665 0.269 . . . . 0.0 110.975 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.24 135.04 94.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.512 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.12 116.1 2.81 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.067 2.511 . . . . 0.0 112.421 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -79.74 162.79 61.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.985 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.16 125.82 15.93 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.202 1.935 . . . . 0.0 111.211 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.59 -27.06 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.019 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -103.51 113.05 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.835 0.35 . . . . 0.0 110.229 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.1 mt -132.05 152.94 50.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.105 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.86 166.09 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.86 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.57 111.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.02 -10.26 24.98 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.165 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 86' ' ' THR . 65.2 mm-40 -83.93 141.46 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.529 0.204 . . . . 0.0 110.542 178.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.3 m -113.9 123.18 49.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.27 126.59 52.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.432 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -86.1 99.55 11.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.5 mt -88.25 99.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.633 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.6 ttt180 -86.54 123.54 31.85 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.968 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 30.6 m -116.93 126.39 52.88 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -110.92 112.32 24.07 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 115.76 21.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -82.42 118.86 23.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.137 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.567 ' HD3' ' OH ' ' A' ' 47' ' ' TYR . 20.9 mtm180 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.106 0.479 . . . . 0.0 111.881 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -83.53 107.08 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.978 0.418 . . . . 0.0 110.836 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.837 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 67.5 m-85 -98.45 145.12 27.07 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 173.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.627 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 60.5 m-85 -121.67 135.27 54.97 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.652 0.263 . . . . 0.0 111.111 -174.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.86 135.02 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.304 0.573 . . . . 0.0 111.297 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.5 ' HD2' HD13 ' A' ' 73' ' ' LEU . 2.9 ptm180 -153.18 137.9 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 172.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.3 p90 -111.8 144.43 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.504 -176.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -120.63 144.42 48.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -133.13 103.24 12.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.84 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.9 Cg_exo -59.55 -47.16 17.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.957 1.772 . . . . 0.0 110.318 173.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.41 122.69 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.988 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.433 ' HA3' ' HB2' ' A' ' 93' ' ' GLN . . . 148.67 174.1 20.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.539 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.5 127.55 4.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 111.248 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.517 ' HA3' ' CE1' ' A' ' 85' ' ' TYR . . . -169.9 165.98 39.27 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.822 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 33.7 m -103.81 111.6 24.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 83' ' ' LEU . 42.6 tp -106.43 119.2 38.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.391 . . . . 0.0 110.416 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.63 145.38 43.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.181 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.4 ttp -83.91 157.78 21.83 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -47.37 -31.61 4.15 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.77 -12.02 59.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.866 0.365 . . . . 0.0 111.0 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.57 -7.75 30.13 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -66.68 119.85 12.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.899 0.381 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.7 t -73.49 121.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.427 HD12 ' HG ' ' A' ' 60' ' ' LEU . 70.8 mt -89.68 117.58 28.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.347 -175.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.26 147.23 40.02 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.011 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 -5.36 13.59 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.925 2.416 . . . . 0.0 112.26 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -75.06 -29.76 60.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -127.05 173.42 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.628 0.727 . . . . 0.0 112.014 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.512 HD21 ' HB3' ' A' ' 48' ' ' PHE . 6.5 tt -127.41 132.61 50.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.195 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 98.8 m-85 -118.43 150.59 48.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.423 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.561 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 7.7 Cg_endo -89.1 132.64 2.31 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.411 2.741 . . . . 0.0 112.963 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.837 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 93.4 mt -80.68 127.68 74.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.317 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.83 -36.52 2.04 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.695 2.263 . . . . 0.0 114.042 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.69 176.94 22.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.236 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 2.9 mp0 -68.26 -37.26 80.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.211 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.0 t -97.81 93.06 6.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 110.42 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 17.5 p90 -112.88 131.61 55.65 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.36 0.6 . . . . 0.0 110.068 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.412 ' HG2' ' HG3' ' A' ' 33' ' ' ARG . 53.4 mtm-85 -110.47 125.64 53.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 60' ' ' LEU . 80.1 mt -102.19 115.35 30.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -90.0 100.72 13.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.045 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.517 ' CE1' ' HA3' ' A' ' 58' ' ' GLY . 84.6 t80 -99.47 110.36 22.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.004 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 45.6 m -92.6 113.91 26.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.315 172.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.8 m -65.34 135.68 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.909 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -124.74 6.8 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -139.79 168.24 20.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.353 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -125.89 -23.54 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.23 165.72 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -56.34 111.98 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.441 0.463 . . . . 0.0 111.16 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.433 ' HB2' ' HA3' ' A' ' 56' ' ' GLY . 23.3 pt20 -119.36 151.08 39.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.248 0.547 . . . . 0.0 110.945 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.46 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 61.4 m -130.7 116.62 18.29 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.26 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -116.67 107.34 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.329 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 11.5 p-10 -103.44 113.28 26.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.7 0.762 . . . . 0.0 110.523 177.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 40.5 t -94.41 135.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.637 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.51 ' HB3' HD13 ' A' ' 106' ' ' LEU . 27.8 m-85 -104.51 121.16 42.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.68 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -109.87 126.32 53.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.929 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.627 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 9.7 tt0 -122.72 154.63 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -125.4 178.26 5.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.894 0.378 . . . . 0.0 111.031 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.8 m -77.54 -7.66 56.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.621 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.22 -14.31 44.29 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.28 14.8 29.58 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.052 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 15.0 mm-40 -86.42 144.23 27.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 100' ' ' GLN . 31.5 tp -136.53 115.78 12.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.78 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -125.77 124.69 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.984 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 3.3 pt20 -105.3 142.45 35.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.491 . . . . 0.0 110.892 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.7 mt -120.54 118.5 30.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.551 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 12.1 m -95.05 116.06 28.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.171 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -109.33 119.66 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 57.7 p -92.65 117.83 30.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -176.359 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 97.8 m-85 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.875 0.369 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 t -150.14 170.54 18.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.392 -176.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.541 HG12 ' HA ' ' A' ' 36' ' ' LEU . 35.1 mt -132.44 133.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.998 0.427 . . . . 0.0 110.787 -175.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.32 150.98 22.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' SG ' ' A' ' 34' ' ' CYS . 19.6 p -130.69 157.44 42.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.847 0.356 . . . . 0.0 111.416 -174.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 65.3 mtt -94.04 124.4 56.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 57.3 Cg_exo -53.35 135.98 61.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.383 2.722 . . . . 0.0 113.649 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.489 HG13 HG12 ' A' ' 32' ' ' ILE . 35.5 m -95.63 165.86 15.77 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.106 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -61.18 151.95 75.26 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.762 2.308 . . . . 0.0 111.583 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.528 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -97.13 -17.26 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.749 -176.601 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -137.44 118.71 14.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.503 HD21 ' HG3' ' A' ' 28' ' ' GLU . 5.1 mp -125.08 169.12 12.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.35 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -90.94 161.04 15.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.031 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.29 112.69 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.72 -8.99 25.83 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.503 ' HG3' HD21 ' A' ' 24' ' ' LEU . 12.4 tp10 -82.51 143.94 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -124.95 121.43 34.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.034 0.445 . . . . 0.0 110.902 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' A' ' 24' ' ' LEU . . . -96.1 126.85 41.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.404 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.93 101.98 14.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 0.0 110.623 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.513 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 23.4 mt -83.52 98.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -83.12 120.23 25.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' A' ' 17' ' ' THR . 31.9 m -117.65 134.47 54.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.946 -172.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.461 ' OE1' HG22 ' A' ' 80' ' ' THR . 15.2 mm100 -122.86 121.5 36.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HA ' HG12 ' A' ' 15' ' ' ILE . 1.1 tp -82.36 138.57 34.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.407 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 83.6 t60 -90.66 102.96 15.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.865 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.54 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 23.3 tpp180 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.51 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.37 142.1 28.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.438 0.637 . . . . 0.0 111.858 -169.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.671 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 25.5 m-85 -98.63 128.21 44.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.303 -177.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.516 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 97.6 m-85 -119.64 123.44 43.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.97 0.414 . . . . 0.0 110.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.8 tt -109.74 139.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.66 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.5 ' HB2' HD21 ' A' ' 73' ' ' LEU . 15.8 ttp180 -154.46 134.71 13.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.301 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -108.19 150.42 27.28 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.97 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -105.15 132.45 51.36 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' NE2' ' HB1' ' A' ' 57' ' ' ALA . 5.8 tp60 -117.89 83.03 17.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.68 -175.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -83.82 -16.17 6.67 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.588 2.192 . . . . 0.0 111.92 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -118.27 160.62 21.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.417 -171.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.37 77.49 2.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.154 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.53 ' HA ' ' HG2' ' A' ' 93' ' ' GLN . . . -106.15 -159.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.463 0.173 . . . . 0.0 111.036 -178.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.73 -146.59 18.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.488 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 m -105.08 141.07 37.3 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.235 0.214 . . . . 0.0 111.068 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -117.12 117.88 30.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -113.67 152.63 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.566 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.1 mtp -86.81 163.65 17.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.992 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 t -53.6 -28.04 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 110.999 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.97 -14.21 61.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.46 6.98 69.97 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -172.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.5 m -80.76 130.49 35.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.573 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.1 t -85.07 127.64 39.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 0.0 110.176 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.5 mt -86.43 142.72 28.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.569 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -113.35 133.53 22.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.21 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.02 62.3 8.48 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.695 2.263 . . . . 0.0 113.196 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -155.59 -51.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.169 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.17 175.44 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 48' ' ' PHE . 93.2 mt -101.68 129.35 47.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 111.629 -174.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 37.7 m-85 -105.76 132.59 20.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.573 176.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 14.1 Cg_exo -69.98 129.84 18.06 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 111.929 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.671 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 78.7 mt -71.91 143.91 87.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.294 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.87 -15.42 50.31 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.849 2.366 . . . . 0.0 112.293 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.49 -147.36 9.82 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.087 -0.578 . . . . 0.0 111.785 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -121.17 -5.57 9.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.523 . . . . 0.0 110.526 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.461 HG22 ' OE1' ' A' ' 35' ' ' GLN . 51.7 m -120.96 103.99 9.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 169.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -152.99 172.73 16.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 111.632 -173.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.07 145.83 48.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.024 177.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.513 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.8 mt -114.55 118.4 33.64 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -94.8 104.58 16.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.119 0.485 . . . . 0.0 110.971 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.455 ' OH ' ' HB3' ' A' ' 57' ' ' ALA . 88.5 t80 -94.11 112.19 23.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.2 m -92.11 111.62 23.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.092 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.6 t -66.88 109.35 2.89 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.65 11.28 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.948 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -122.24 142.29 50.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.176 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 p -86.82 -21.47 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.642 0.734 . . . . 0.0 109.571 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -86.37 172.57 10.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.912 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.59 144.19 52.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.53 ' HG2' ' HA ' ' A' ' 57' ' ' ALA . 47.3 mt-30 -121.2 123.77 43.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.995 0.426 . . . . 0.0 111.149 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 m -122.87 120.27 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.216 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.37 128.07 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.58 0.229 . . . . 0.0 111.112 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -102.43 112.36 25.05 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.389 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.37 123.31 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.732 0.301 . . . . 0.0 110.772 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.41 127.52 54.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -110.24 116.73 32.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -113.35 130.71 56.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.07 0.462 . . . . 0.0 111.101 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 12.1 t70 -109.28 143.78 38.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.318 177.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 p -74.44 -4.34 36.03 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -79.51 -9.87 59.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.519 0.676 . . . . 0.0 109.742 174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.66 23.95 6.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.186 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 16.1 mm100 -103.82 140.8 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.763 0.316 . . . . 0.0 110.444 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -140.86 115.93 9.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -113.75 133.53 55.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.82 125.02 48.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.018 0.437 . . . . 0.0 110.638 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.6 mt -117.9 111.52 19.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.093 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 m -91.75 119.52 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.308 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.18 117.95 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.929 0.395 . . . . 0.0 110.072 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 m -124.45 118.5 26.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.447 -178.511 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' HD1' ' HA ' ' A' ' 38' ' ' ARG . 92.6 m-85 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.9 t -116.72 135.26 53.91 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.7 mt -111.83 125.98 69.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 110.628 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.05 135.85 44.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.92 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.452 HG23 ' SG ' ' A' ' 34' ' ' CYS . 17.1 p -125.04 138.47 54.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.956 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.458 ' SD ' ' HB2' ' A' ' 33' ' ' ARG . 1.3 mpt? -77.75 134.3 65.24 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 177.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 35.3 Cg_exo -60.82 159.87 27.34 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.267 2.645 . . . . 0.0 113.105 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 m -115.98 165.55 14.45 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.909 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.77 147.17 74.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.603 2.202 . . . . 0.0 112.096 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -80.08 2.18 24.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.636 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -141.93 123.27 14.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.0 mt -136.9 115.7 12.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.375 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -109.49 -179.87 3.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.522 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 89' ' ' SER . 23.3 t -64.8 121.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.05 0.452 . . . . 0.0 111.177 -175.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.15 -3.69 51.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.536 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.98 145.18 24.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.785 0.326 . . . . 0.0 110.401 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -117.1 115.74 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.57 116.51 28.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.192 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -87.22 100.62 12.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.208 0.528 . . . . 0.0 110.153 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -95.04 99.76 9.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.488 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HB2' ' SD ' ' A' ' 18' ' ' MET . 67.4 mtt180 -82.01 124.19 29.57 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.741 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' SG ' HG23 ' A' ' 17' ' ' THR . 39.2 m -117.79 126.38 52.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.33 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.432 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 33.3 tt0 -131.17 113.53 13.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.178 0.513 . . . . 0.0 111.057 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -83.58 116.71 22.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -84.83 109.7 18.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.987 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HG3' ' CG ' ' A' ' 79' ' ' GLU . 5.8 mmm180 . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.998 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.695 0.283 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -82.5 117.12 22.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.339 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB2' HD13 ' A' ' 76' ' ' LEU . 33.5 m-85 -98.16 134.57 41.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.486 ' HB3' HD11 ' A' ' 73' ' ' LEU . 94.6 m-85 -115.4 140.63 48.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -177.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.456 HG12 ' CE2' ' A' ' 51' ' ' TYR . 14.5 tt -115.92 129.77 71.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -135.88 134.28 38.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.67 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -127.47 105.76 8.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.826 0.346 . . . . 0.0 110.647 -169.325 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.6 116.02 28.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -104.43 103.49 39.65 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.1 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.95 -46.46 19.34 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.595 2.197 . . . . 0.0 111.587 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -154.82 120.79 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.829 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.24 169.79 30.31 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.674 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.16 98.29 3.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.07 173.23 29.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.74 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.7 m -125.16 113.35 17.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.839 0.352 . . . . 0.0 110.247 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.798 ' HG ' HD12 ' A' ' 68' ' ' LEU . 50.1 tp -104.44 119.68 39.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 0.0 110.365 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 47.9 mtmt -124.61 149.77 46.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.412 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.6 ttm -85.0 153.27 22.86 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.556 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 5.5 p -53.27 -28.1 26.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 112.033 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.65 19.12 5.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.94 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.37 -1.04 88.64 Favored Glycine 0 C--N 1.334 0.457 0 CA-C-N 115.679 -0.692 . . . . 0.0 113.502 172.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 m -74.45 116.84 15.59 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.716 -0.284 . . . . 0.0 110.916 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.514 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.6 t -78.07 118.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 109.806 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.798 HD12 ' HG ' ' A' ' 60' ' ' LEU . 56.1 mt -92.07 117.86 30.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.702 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 94.6 mt -105.35 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.249 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 71.5 Cg_exo -52.47 -40.71 71.06 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 123.435 2.757 . . . . 0.0 113.952 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -92.26 16.05 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.382 0.61 . . . . 0.0 110.719 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.75 173.26 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.94 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 48' ' ' PHE . 48.5 tp -137.53 122.61 19.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.668 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.465 ' HD2' ' OH ' ' A' ' 51' ' ' TYR . 82.7 m-85 -120.37 141.25 31.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.669 0.271 . . . . 0.0 111.247 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.37 141.27 15.86 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.615 2.21 . . . . 0.0 111.38 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -74.93 144.54 79.79 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 22.4 Cg_exo -65.55 -35.96 35.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.03 2.487 . . . . 0.0 112.314 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.38 -155.69 13.78 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.501 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.486 ' CG ' ' HG3' ' A' ' 38' ' ' ARG . 2.2 mp0 -64.32 -49.33 72.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.727 0.298 . . . . 0.0 111.525 -178.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.432 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 12.9 t -112.31 137.71 50.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 0.0 110.887 -175.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -154.98 169.3 24.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.971 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.556 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 0.2 OUTLIER -128.2 132.02 48.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -176.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' A' ' 60' ' ' LEU . 81.6 mt -109.11 122.22 46.82 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -97.62 103.21 15.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -88.19 101.94 14.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.751 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 m -89.08 110.61 21.31 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.702 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 m -73.39 108.15 6.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.489 . . . . 0.0 110.751 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.63 6.4 47.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.484 0.659 . . . . 0.0 109.77 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.421 ' HA ' HG23 ' A' ' 26' ' ' VAL . 45.8 t -155.51 159.32 39.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.24 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.6 t -118.57 9.67 12.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.329 0.585 . . . . 0.0 109.771 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -83.09 -167.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.165 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -73.29 115.43 12.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.625 ' HG3' ' HB2' ' A' ' 113' ' ' PHE . 9.7 pt20 -131.72 115.44 16.02 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.455 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 m -114.0 125.03 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.778 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -128.81 116.53 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.406 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.8 111.25 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.21 112.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.157 0.503 . . . . 0.0 110.441 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -101.52 129.58 47.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.402 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.84 112.61 24.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.438 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 9.4 pt20 -109.02 128.95 55.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.576 0.703 . . . . 0.0 110.94 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -83.45 168.38 16.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.76 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 t -74.59 -18.38 60.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -79.31 -14.41 59.02 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.743 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.68 4.65 52.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.69 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.25 122.64 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.72 116.49 29.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -175.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -110.53 146.31 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 136.4 45.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.929 0.395 . . . . 0.0 111.465 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.8 mt -128.87 112.52 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 m -92.49 119.01 31.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.975 0.417 . . . . 0.0 111.066 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.68 118.82 37.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.902 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 m -122.49 111.87 17.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.85 0.357 . . . . 0.0 110.491 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.625 ' HB2' ' HG3' ' A' ' 93' ' ' GLN . 76.9 m-85 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 -177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 26.2 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -99.22 132.53 44.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.766 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -110.93 111.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 0.0 110.371 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -101.91 116.16 32.1 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.745 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.3 p -92.36 136.77 32.93 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.401 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.9 mtt -68.98 135.62 89.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.9 107.77 0.17 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.251 2.634 . . . . 0.0 113.185 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.37 155.11 76.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.915 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.78 131.26 28.63 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.705 2.27 . . . . 0.0 111.899 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -85.32 6.55 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.61 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -144.08 124.96 14.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.361 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.598 ' HG ' ' HB2' ' A' ' 28' ' ' GLU . 6.9 tp -146.82 129.83 16.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.648 0.261 . . . . 0.0 110.522 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HB2' ' HG3' ' A' ' 28' ' ' GLU . 67.5 mttm -78.63 167.35 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.291 0.567 . . . . 0.0 111.466 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 88' ' ' ALA . 47.4 t -68.44 118.1 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.041 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.48 -19.52 28.86 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.563 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.598 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . 25.8 mt-10 -73.12 139.84 46.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.4 . . . . 0.0 110.257 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -116.99 117.52 29.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.524 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.9 126.2 52.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.379 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -85.56 103.41 14.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.462 0.648 . . . . 0.0 110.573 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.68 99.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.517 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -83.36 116.31 22.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.325 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.66 131.06 55.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.099 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -111.23 111.05 21.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.354 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 10.6 tt -97.07 121.43 38.94 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -85.26 101.01 12.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ttp180 . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.517 HG23 ' OD2' ' A' ' 101' ' ' ASP . 25.0 m . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 121.165 0.507 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -104.54 152.97 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.589 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 12.4 m-85 -98.9 135.87 39.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.052 -171.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -123.74 142.72 50.82 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.875 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.679 HD11 ' HE1' ' A' ' 51' ' ' TYR . 17.6 tt -109.45 129.39 64.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.441 0.639 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.791 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 23.9 tpt180 -125.33 140.66 52.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.322 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.679 ' HE1' HD11 ' A' ' 49' ' ' ILE . 3.5 m-85 -131.09 148.76 52.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.827 0.346 . . . . 0.0 111.16 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -141.14 125.8 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.188 173.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -121.32 102.41 42.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.092 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.672 ' HD2' ' O ' ' A' ' 94' ' ' THR . 50.2 Cg_exo -54.69 -34.4 83.72 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.889 2.392 . . . . 0.0 111.809 173.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.704 ' HB3' ' HG3' ' A' ' 93' ' ' GLN . 31.3 t70 -86.18 -81.56 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.86 -4.05 32.09 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.869 170.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.22 97.7 8.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 110.879 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.96 172.01 33.72 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.468 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -124.69 121.86 35.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.7 tp -123.17 123.38 40.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.692 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -128.27 146.32 50.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.113 0.483 . . . . 0.0 110.831 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.8 ttm -75.17 162.32 28.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.238 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.3 t -51.07 -31.45 18.94 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -87.97 6.35 36.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.679 0.275 . . . . 0.0 111.71 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.26 -16.82 60.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.803 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -58.68 115.28 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.658 0.266 . . . . 0.0 111.017 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.42 133.18 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.794 0.33 . . . . 0.0 110.184 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.467 HD12 HD21 ' A' ' 83' ' ' LEU . 79.3 mt -101.5 101.9 12.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.592 -177.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.5 mt -105.14 142.9 25.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.983 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.92 26.94 0.33 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.264 2.643 . . . . 0.0 113.467 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -111.24 -50.96 2.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -101.1 175.07 5.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.314 0.578 . . . . 0.0 111.74 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.3 tp -111.97 134.3 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.78 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 88.8 m-85 -123.48 144.75 44.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.649 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.4 Cg_exo -80.29 144.22 16.18 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.983 2.455 . . . . 0.0 112.509 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.8 mt -86.02 147.83 46.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.993 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.75 -51.8 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.111 2.541 . . . . 0.0 112.855 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.48 -141.14 3.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.429 ' HA ' ' HB3' ' A' ' 36' ' ' LEU . 3.3 mp0 -72.63 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.963 0.411 . . . . 0.0 111.357 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -105.98 125.2 50.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.653 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -146.74 156.95 43.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.557 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -117.65 140.89 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.662 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.467 HD21 HD12 ' A' ' 68' ' ' LEU . 52.0 mt -120.41 119.09 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.653 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -87.42 109.12 19.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 0.0 111.268 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 87' ' ' SER . 68.0 t80 -99.98 105.93 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.12 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.2 m -94.05 107.93 19.81 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.333 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.492 ' HB2' HD21 ' A' ' 24' ' ' LEU . 18.6 t -79.66 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 -176.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.541 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -120.53 13.01 11.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.435 0.636 . . . . 0.0 109.393 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.46 ' HB2' HE21 ' A' ' 93' ' ' GLN . 6.7 t -87.0 143.85 27.16 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.007 -177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -89.6 -13.76 36.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.427 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -147.56 -160.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -59.42 114.01 2.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.152 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.704 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 7.3 tt0 -106.45 123.2 47.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.405 174.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.672 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 14.0 m -88.61 120.37 29.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.149 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.51 106.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.721 0.296 . . . . 0.0 110.47 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.41 111.2 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.185 0.517 . . . . 0.0 110.16 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 51' ' ' TYR . 18.5 t -100.86 134.49 40.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.209 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.791 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 78.6 m-85 -123.88 119.78 30.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.187 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -109.27 112.39 24.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 3.2 pt20 -121.01 161.68 21.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.833 0.349 . . . . 0.0 110.769 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.517 ' OD2' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -141.91 162.42 35.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 179.374 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.2 t -71.54 -18.86 62.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.663 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -79.24 -24.29 43.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.999 0.428 . . . . 0.0 110.304 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.41 13.9 5.09 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.346 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 5.7 tp-100 -80.2 134.92 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.016 0.408 . . . . 0.0 110.055 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 100' ' ' GLN . 65.8 tp -141.97 116.43 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.051 0.453 . . . . 0.0 110.114 176.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -108.77 115.89 30.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.498 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.98 110.92 23.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.1 mt -119.18 125.34 48.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.951 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.2 m -112.71 119.6 38.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.0 140.53 45.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.349 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 t -113.6 108.94 17.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.123 0.487 . . . . 0.0 110.537 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 C--N 1.321 -0.651 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.614 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.53 ' HD1' ' HG2' ' A' ' 105' ' ' GLN . 76.1 m-85 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.483 ' HB3' ' CG ' ' A' ' 37' ' ' HIS . 12.6 t -141.03 110.1 6.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.943 0.401 . . . . 0.0 110.24 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 15' ' ' ILE . 3.1 mp -108.43 106.23 20.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -101.22 155.17 18.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.644 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 p -118.79 162.49 18.38 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.931 0.396 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ptm -86.38 141.28 34.48 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -45.72 115.3 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.17 2.58 . . . . 0.0 112.905 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.15 151.77 52.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 167.51 24.13 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.651 2.234 . . . . 0.0 111.598 175.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -108.17 9.58 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.649 0.261 . . . . 0.0 111.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -164.11 158.08 18.87 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.696 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD23 ' HB2' ' A' ' 30' ' ' ALA . 95.1 mt -142.73 169.11 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.451 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -123.99 165.51 17.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.766 0.317 . . . . 0.0 110.797 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.89 112.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.39 0.31 58.21 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.963 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 86' ' ' THR . 9.0 tp10 -84.97 141.43 30.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.2 m -117.44 114.63 23.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.9 0.381 . . . . 0.0 110.679 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB2' HD23 ' A' ' 24' ' ' LEU . . . -82.78 125.19 31.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.353 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' OE2' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -94.3 101.51 13.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.779 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -104.27 99.23 8.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -92.33 126.59 37.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.456 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.5 m -114.66 141.31 47.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.186 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.61 112.89 21.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.538 HD22 ' HG3' ' A' ' 79' ' ' GLU . 5.0 tp -83.59 120.3 25.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.931 176.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.483 ' CG ' ' HB3' ' A' ' 14' ' ' SER . 18.3 m170 -78.06 103.44 7.99 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 109.912 175.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.327 -178.573 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 120.97 0.414 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -82.34 124.38 29.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -174.062 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.29 143.57 28.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -124.47 153.96 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 0.0 111.831 -173.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 98' ' ' TYR . 13.8 tt -134.09 139.16 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.225 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -139.64 161.86 36.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.547 ' CE2' HD11 ' A' ' 68' ' ' LEU . 81.8 m-85 -134.22 165.45 25.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.444 0.64 . . . . 0.0 112.304 -174.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.428 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 71.7 t80 -154.35 110.72 3.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 108.45 169.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 19.7 pt20 -138.04 119.84 10.68 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 121.083 0.468 . . . . 0.0 111.147 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 16.7 Cg_exo -71.23 -22.14 25.99 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 123.459 2.772 . . . . 0.0 112.728 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.524 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 2.9 p-10 -68.9 124.11 22.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.36 0.6 . . . . 0.0 110.471 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.23 -22.89 9.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.325 -175.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.455 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . -95.38 87.19 4.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.373 0.587 . . . . 0.0 110.673 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.87 179.84 43.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.604 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -149.24 134.6 18.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.189 0.494 . . . . 0.0 110.609 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.6 tp -121.38 122.67 40.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.403 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -121.08 157.45 30.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.021 0.439 . . . . 0.0 110.724 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 63' ' ' SER . 43.7 ttm -90.32 168.89 11.55 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 171.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.79 ' HB3' ' HG2' ' A' ' 82' ' ' ARG . 2.7 p -54.91 -23.31 18.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.23 -19.75 56.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.068 0.461 . . . . 0.0 111.194 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.45 -6.31 52.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.393 -174.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -61.72 121.14 12.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.976 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.44 117.05 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.547 HD11 ' CE2' ' A' ' 51' ' ' TYR . 39.0 mt -86.85 108.42 18.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.83 -173.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.9 mt -105.46 130.06 23.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.485 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.7 92.56 0.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.38 2.053 . . . . 0.0 112.015 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.49 -60.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.345 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.7 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.759 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.3 tp -111.77 120.28 41.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -172.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -101.07 150.83 37.41 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.405 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -88.03 167.63 6.8 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.772 2.315 . . . . 0.0 112.586 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.3 mt -98.92 136.0 20.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.418 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -81.38 -0.15 10.31 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.753 2.302 . . . . 0.0 113.066 -177.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.01 -161.62 31.21 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.198 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG3' HD22 ' A' ' 36' ' ' LEU . 3.7 mp0 -88.81 -44.34 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.976 0.417 . . . . 0.0 111.289 -177.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -93.31 46.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -82.04 167.65 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.123 0.487 . . . . 0.0 111.132 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.79 ' HG2' ' HB3' ' A' ' 63' ' ' SER . 8.8 ptp85 -144.43 159.0 43.47 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -126.8 127.69 45.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.95 111.71 24.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.617 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.61 113.23 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.955 0.407 . . . . 0.0 110.84 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 23.0 m -97.55 118.67 34.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.837 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -87.81 138.68 31.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.382 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.64 10.22 13.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 111.025 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.455 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 34.0 m -117.02 177.44 4.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -67.52 -46.15 73.68 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.075 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -163.86 75.98 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 164.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.524 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 21.3 tp60 -111.02 104.1 12.63 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.353 175.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.493 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 52.1 tt0 -150.21 120.96 7.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.116 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -141.34 103.3 4.39 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.3 t -127.33 120.2 54.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.497 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.428 ' HB2' ' HB3' ' A' ' 52' ' ' PHE . 13.6 m-20 -87.5 110.84 20.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 169.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.05 122.26 52.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.0 0.429 . . . . 0.0 110.394 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 34.2 m-85 -107.73 113.9 27.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.053 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.66 111.99 24.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HB3' HD13 ' A' ' 106' ' ' LEU . 29.0 pt20 -125.27 140.88 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.969 0.89 . . . . 0.0 112.082 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.808 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -94.64 158.43 15.53 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.729 174.091 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.2 p -57.52 -27.07 62.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -93.37 -2.99 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.153 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.56 24.16 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.544 174.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.808 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 8.1 tp-100 -74.52 104.39 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 100' ' ' GLN . 55.5 tp -116.87 124.43 49.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.881 0.372 . . . . 0.0 111.661 -174.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 107' ' ' GLN . 21.4 mt-30 -110.82 110.07 20.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.521 171.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.96 117.09 29.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.4 mt -111.99 116.12 30.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.041 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.2 m -99.89 115.2 29.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.458 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.536 ' HB3' ' HE1' ' A' ' 113' ' ' PHE . 86.2 m-85 -114.5 118.11 32.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 6.5 m -124.09 112.12 16.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.536 ' HE1' ' HB3' ' A' ' 111' ' ' PHE . 1.6 m-85 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.946 -176.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.204 0.526 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.9 m -92.02 121.41 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.187 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.11 113.67 44.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.575 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -118.74 143.81 46.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.387 0.613 . . . . 0.0 111.272 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.3 p -114.94 141.58 47.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.5 mmt -72.95 154.41 90.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.577 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 147.64 46.15 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.211 2.608 . . . . 0.0 112.976 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -124.57 158.72 60.94 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -57.08 133.91 60.91 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.296 1.997 . . . . 0.0 111.306 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.32 -26.77 67.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.463 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -143.66 146.61 33.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 87' ' ' SER . 86.3 mt -121.38 163.76 18.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.356 -176.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -124.22 176.36 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.653 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.22 115.85 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.07 -16.33 30.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.76 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -71.78 124.96 25.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.421 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -99.82 105.66 17.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.852 0.358 . . . . 0.0 110.221 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.83 106.08 17.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.808 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.03 115.44 23.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 0.0 110.268 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.7 mt -103.09 100.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.382 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.1 ttt180 -69.0 114.26 7.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.62 127.38 53.6 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.34 113.03 13.27 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.225 0.536 . . . . 0.0 110.53 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -91.21 120.75 32.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.687 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -79.25 99.31 7.0 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.706 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.041 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.265 0.555 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -99.77 128.28 45.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.126 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.44 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 69.0 m-85 -107.37 127.84 53.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -174.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -119.57 122.42 41.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.747 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.876 HG22 ' HH ' ' A' ' 51' ' ' TYR . 7.6 tt -107.77 128.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 0.0 110.637 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -113.42 157.92 21.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.876 ' HH ' HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -134.13 145.09 48.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.103 -174.629 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -142.24 126.77 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.838 174.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -126.67 107.79 22.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 94' ' ' THR . 27.5 Cg_exo -62.77 -39.6 41.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 111.21 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -83.78 -68.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.391 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.0 8.66 64.64 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-N 115.277 -0.874 . . . . 0.0 114.003 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.92 87.23 5.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.503 0.652 . . . . 0.0 110.732 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.49 150.59 6.31 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.558 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.472 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 26.7 m -98.31 113.97 26.1 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.597 ' HG ' HD12 ' A' ' 68' ' ' LEU . 52.0 tp -102.02 121.36 42.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.385 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 67' ' ' VAL . 47.4 mtmt -131.6 157.34 43.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.128 0.49 . . . . 0.0 111.792 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.401 ' HE1' HD22 ' A' ' 68' ' ' LEU . 43.2 ttm -95.65 166.74 11.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.169 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -57.88 -30.25 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.62 7.75 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.622 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.79 -7.38 82.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.246 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -61.71 117.08 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 122.357 0.263 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 61' ' ' LYS . 64.2 t -78.28 124.35 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.597 HD12 ' HG ' ' A' ' 60' ' ' LEU . 55.6 mt -91.15 104.57 17.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.197 -172.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -91.31 129.44 43.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.397 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.481 ' O ' ' HB3' ' A' ' 71' ' ' ASN . 32.1 Cg_exo -60.31 177.02 0.64 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.208 2.605 . . . . 0.0 113.015 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 70' ' ' PRO . 20.6 t-20 75.42 -54.57 0.64 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.483 0.713 . . . . 0.0 111.159 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.51 161.33 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -129.25 118.82 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.517 . . . . 0.0 110.329 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -94.73 151.4 39.07 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.719 -174.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 43.9 Cg_endo -70.31 140.19 40.05 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.356 2.037 . . . . 0.0 111.652 174.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.1 mt -84.36 143.28 41.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.426 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.36 -40.49 24.69 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.766 2.311 . . . . 0.0 112.252 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.92 -147.68 9.17 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.713 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -71.06 -57.75 4.23 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.804 0.442 . . . . 0.0 111.403 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.0 p -100.6 117.51 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.106 0.479 . . . . 0.0 111.789 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -143.57 160.31 40.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.114 175.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.474 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 6.8 mmm180 -111.69 125.54 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -175.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.14 113.95 27.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 176.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -101.15 105.43 16.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -97.93 110.7 23.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.361 0.6 . . . . 0.0 110.075 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.472 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 8.9 m -86.7 101.42 13.27 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.19 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.491 ' HB2' HD13 ' A' ' 24' ' ' LEU . 22.9 t -69.86 127.06 31.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.745 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.84 15.16 16.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.248 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 m -134.44 146.95 50.3 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.665 -175.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -110.44 -5.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.879 0.847 . . . . 0.0 109.044 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -88.26 -165.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.33 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -66.72 113.87 5.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.989 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -120.63 111.74 18.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 32.2 m -107.45 127.1 53.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.0 t -123.25 117.09 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.045 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -98.19 116.35 30.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.175 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -108.44 122.46 62.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -108.93 124.85 51.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.842 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.84 114.45 28.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -107.63 119.24 38.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 4.9 t70 -103.61 164.1 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.782 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.6 t -73.81 -16.76 61.14 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.41 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 62.3 m-85 -84.2 6.0 24.3 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.032 -0.418 . . . . 0.0 110.96 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.54 0.39 69.82 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.879 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 6.2 tp-100 -73.42 126.38 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 0.0 110.639 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.1 tp -126.36 115.27 19.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -110.15 111.33 22.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.357 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -99.43 112.36 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.275 0.559 . . . . 0.0 110.293 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.8 mt -101.48 113.08 25.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.451 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -97.92 113.99 25.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.973 0.416 . . . . 0.0 110.519 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -108.95 118.55 37.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -120.01 115.51 23.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.233 -177.392 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.5 m -128.62 130.91 47.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.066 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.619 HG13 HE22 ' A' ' 107' ' ' GLN . 53.5 mt -112.88 121.07 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.534 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.45 126.64 37.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.384 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.578 HG23 ' HZ ' ' A' ' 111' ' ' PHE . 19.3 p -103.59 125.35 50.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.359 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.453 ' CG ' ' HB3' ' A' ' 33' ' ' ARG . 23.8 mmt -59.6 145.06 83.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.121 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -46.87 116.74 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.711 2.94 . . . . 0.0 113.098 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG13 HG12 ' A' ' 32' ' ' ILE . 31.7 m -80.62 144.16 56.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.6 140.33 68.05 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.808 2.339 . . . . 0.0 112.278 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -91.22 -17.09 26.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -119.45 115.91 25.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.832 0.348 . . . . 0.0 110.141 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -122.49 145.35 48.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.5 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HA ' HG22 ' A' ' 90' ' ' THR . 5.6 mptt -116.14 167.87 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.4 116.69 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.66 -0.53 59.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.688 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.02 145.68 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m -116.66 114.51 24.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.547 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 103.06 15.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.944 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.9 100.27 4.77 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.503 HG12 HG13 ' A' ' 20' ' ' VAL . 39.0 mt -91.52 98.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.073 176.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' HB3' ' CG ' ' A' ' 18' ' ' MET . 23.9 ttt180 -83.4 114.19 21.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' HG22 ' A' ' 17' ' ' THR . 36.6 m -106.98 127.1 53.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.468 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.739 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 33.7 tt0 -124.58 112.4 16.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.175 0.512 . . . . 0.0 110.843 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.425 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.6 tt -81.44 120.08 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.213 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -90.78 100.82 13.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.704 ' HE ' ' HG2' ' A' ' 79' ' ' GLU . 13.7 ptt180 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.645 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 121.249 0.547 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.66 132.62 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.84 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -101.57 134.18 45.1 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -115.55 131.84 56.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.121 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -106.28 128.19 60.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 0.0 110.998 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -123.28 151.58 42.23 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -144.93 125.5 14.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.971 -172.126 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -115.3 117.82 31.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.903 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.586 HE21 HG23 ' A' ' 95' ' ' VAL . 36.2 tt0 -119.46 90.73 43.16 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.39 -13.12 8.81 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.766 2.311 . . . . 0.0 112.202 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 8.6 t70 -143.47 134.73 25.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.545 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.89 179.09 33.32 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.041 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.27 113.78 5.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.869 0.366 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.68 134.75 3.5 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.199 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.8 m -86.95 112.08 21.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.903 0.383 . . . . 0.0 110.39 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.587 ' HG ' HD11 ' A' ' 68' ' ' LEU . 57.3 tp -89.93 133.68 34.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.93 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.62 153.97 38.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.016 0.436 . . . . 0.0 110.789 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.8 ttm -88.71 159.32 17.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.484 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 4.5 p -57.57 -20.37 31.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.59 -22.52 50.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.021 0.438 . . . . 0.0 110.938 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.28 -7.47 24.89 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -60.61 118.92 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.313 -0.443 . . . . 0.0 111.011 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.6 t -80.22 125.17 38.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.636 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 70.3 mt -98.16 115.98 29.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.716 -174.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 92.8 mt -108.9 130.18 23.04 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.117 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 23.9 Cg_exo -62.85 86.81 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.045 2.497 . . . . 0.0 113.311 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -162.71 -52.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.15 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -115.41 -170.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.097 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.34 147.5 52.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -117.98 152.66 50.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.203 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.94 141.21 21.02 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.725 2.283 . . . . 0.0 112.171 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.73 123.06 66.09 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.926 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.72 16.5 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.86 2.373 . . . . 0.0 112.688 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.21 -175.84 47.18 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.704 ' HG2' ' HE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -101.93 -37.34 8.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.717 0.294 . . . . 0.0 110.72 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.739 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 5.6 t -102.12 106.96 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.425 0.631 . . . . 0.0 109.798 174.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -140.22 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.217 -173.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 38.1 mtt85 -113.49 138.68 49.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.303 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 60' ' ' LEU . 86.8 mt -115.71 119.96 37.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 171.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -97.17 99.84 11.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.998 0.428 . . . . 0.0 110.718 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -92.55 104.51 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.488 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -85.17 109.52 18.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.123 0.487 . . . . 0.0 109.745 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -79.38 120.1 23.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.374 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.97 6.87 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.562 0.696 . . . . 0.0 109.135 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -133.37 144.49 49.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 25' ' ' LYS . 22.2 p -95.62 -18.94 20.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.251 0.548 . . . . 0.0 111.029 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.27 -164.49 1.19 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.221 -173.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -63.39 129.8 41.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.258 0.551 . . . . 0.0 110.871 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -119.95 121.26 38.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.83 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 55' ' ' ASP . 30.7 m -102.87 106.36 16.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.916 0.388 . . . . 0.0 111.255 -174.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.586 HG23 HE21 ' A' ' 53' ' ' GLN . 36.1 t -119.4 110.3 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.034 178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -95.25 111.32 23.19 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.53 138.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.36 0.6 . . . . 0.0 111.462 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.496 ' HB3' HD11 ' A' ' 106' ' ' LEU . 37.9 m-85 -119.7 123.69 44.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.922 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -108.71 112.07 24.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -109.07 138.19 45.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.606 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.97 166.22 10.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.697 0.284 . . . . 0.0 110.428 178.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.8 m -70.36 -20.68 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -80.08 -24.59 40.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.24 12.37 8.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.903 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -81.07 139.88 35.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 98' ' ' TYR . 46.1 tp -129.68 119.14 23.02 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.051 0.453 . . . . 0.0 110.364 -178.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.619 HE22 HG13 ' A' ' 15' ' ' ILE . 8.6 tt0 -110.0 109.87 20.6 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.458 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -95.6 125.26 40.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.14 109.5 12.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.025 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.2 m -92.83 119.42 32.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.578 ' HZ ' HG23 ' A' ' 17' ' ' THR . 98.3 m-85 -108.98 119.17 38.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.925 0.393 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -111.99 108.59 17.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.722 -175.585 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.139 0.495 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 p -95.53 121.41 37.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.156 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.5 mt -101.06 110.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -97.65 110.7 23.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.966 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 p -112.45 125.72 54.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.09 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.7 ptm -64.37 141.59 98.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.45 131.84 45.61 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.946 2.431 . . . . 0.0 112.382 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -86.11 160.44 51.97 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.15 -175.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.07 146.94 67.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.788 2.326 . . . . 0.0 111.792 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.54 ' HD2' ' N ' ' A' ' 22' ' ' LYS . 3.0 mptp? -88.49 -28.54 20.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.146 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -127.88 136.3 51.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.305 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 mt -144.98 115.05 7.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.475 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -97.6 171.34 8.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.408 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.71 122.03 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.33 -17.42 19.05 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -80.37 154.51 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 0.0 110.56 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.1 m -129.26 117.65 21.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.075 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.89 116.34 28.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.035 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -89.28 99.87 12.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.284 0.564 . . . . 0.0 110.083 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.4 mt -93.98 101.82 12.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.995 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.836 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 97.2 mtt180 -80.3 117.64 21.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.084 0.469 . . . . 0.0 110.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.1 129.44 55.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.176 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -124.52 113.08 17.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.117 0.484 . . . . 0.0 111.274 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tt -93.33 119.05 32.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.474 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -102.58 113.23 26.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.518 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' HD3' ' HH ' ' A' ' 47' ' ' TYR . 15.7 ptt180 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 101' ' ' ASP . 74.6 mmtt -80.5 118.57 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -174.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.422 ' HH ' ' HD3' ' A' ' 38' ' ' ARG . 31.3 m-85 -98.31 120.86 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.5 -177.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 95.5 m-85 -117.42 135.82 53.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.313 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.0 141.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.244 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -154.58 161.64 41.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 171.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 48.3 p90 -146.16 163.19 36.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 176.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -145.21 129.58 17.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.0 pm0 -110.21 101.41 47.81 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.304 0.573 . . . . 0.0 110.298 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.463 ' HD2' ' O ' ' A' ' 94' ' ' THR . 37.0 Cg_endo -68.78 -37.01 12.61 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.31 2.007 . . . . 0.0 111.957 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.47 120.88 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.332 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.19 176.81 19.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.157 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.11 -167.33 1.74 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.586 0.231 . . . . 0.0 110.542 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.03 173.48 13.52 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.076 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.3 m -140.59 122.21 15.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 83' ' ' LEU . 41.9 tp -100.74 118.96 37.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.042 0.449 . . . . 0.0 110.547 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -107.82 165.31 11.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.935 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.421 ' HE3' HD23 ' A' ' 68' ' ' LEU . 45.1 ttm -101.17 162.63 12.76 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 6.0 p -61.26 -20.12 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -78.63 -16.6 57.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.106 0.479 . . . . 0.0 110.767 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.12 -5.44 39.04 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -64.75 120.76 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.428 -0.386 . . . . 0.0 111.0 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.1 t -83.65 119.39 32.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.517 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 64.5 mt -88.93 140.59 29.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 91.1 mt -119.12 152.96 52.83 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.564 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 23.5 Cg_exo -64.94 158.22 52.59 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.859 2.372 . . . . 0.0 112.3 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 53.1 m-80 75.42 -61.17 0.48 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.194 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -75.44 162.5 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 111.415 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 48' ' ' PHE . 70.4 mt -111.43 138.78 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.619 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 71.8 m-85 -124.62 135.77 27.04 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.782 172.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 7.5 Cg_exo -72.1 139.84 33.34 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.781 2.321 . . . . 0.0 112.664 -177.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.15 113.9 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -84.83 6.18 5.86 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.882 2.388 . . . . 0.0 112.364 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -148.84 150.91 23.13 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.84 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.17 -38.32 11.13 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.043 0.449 . . . . 0.0 109.915 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -109.79 86.0 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.63 0.729 . . . . 0.0 109.521 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -118.54 175.82 5.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.392 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.836 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 85.9 mtm180 -124.25 129.93 51.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.497 ' HB3' HD11 ' A' ' 60' ' ' LEU . 91.2 mt -101.85 126.39 48.72 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -103.9 97.65 7.61 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.933 0.396 . . . . 0.0 110.955 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -85.2 117.77 24.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.222 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.3 m -90.73 110.96 22.15 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.0 m -71.19 110.25 5.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.66 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.59 13.27 21.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 m -136.63 158.4 44.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.321 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -109.21 -16.59 14.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.446 0.641 . . . . 0.0 109.726 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.76 -177.69 4.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.42 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.33 113.26 3.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.434 0.458 . . . . 0.0 111.852 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -97.72 112.29 24.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.463 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 23.7 m -101.2 105.8 16.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.869 0.366 . . . . 0.0 110.014 178.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.4 t -116.19 119.58 62.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 42.0 t0 -103.11 111.95 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.0 139.68 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -174.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.503 ' HB3' HD12 ' A' ' 106' ' ' LEU . 60.2 m-85 -120.84 122.37 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -111.05 113.07 25.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.511 ' HB3' HD13 ' A' ' 106' ' ' LEU . 11.3 pt20 -120.93 158.15 28.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.941 0.4 . . . . 0.0 111.23 -177.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -116.76 168.2 10.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 178.531 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 p -65.85 -24.14 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.433 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 86.3 t80 -79.88 -23.96 41.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.368 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.36 11.41 7.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.858 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -75.28 143.1 43.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 100' ' ' GLN . 57.2 tp -141.8 120.19 12.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 111.605 -175.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -110.23 109.62 20.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.203 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -106.55 119.26 38.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.188 0.518 . . . . 0.0 110.962 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.2 mt -116.3 110.55 18.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.179 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 6.6 m -93.25 118.09 30.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -111.11 124.59 52.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.774 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.3 t -109.91 112.22 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.262 -179.184 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -119.33 126.14 50.72 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 HG12 ' HA ' ' A' ' 36' ' ' LEU . 57.2 mt -110.47 110.38 31.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.82 137.15 32.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.835 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.501 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 21.9 p -109.9 136.47 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 -175.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.2 mmt -70.34 143.88 91.28 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.291 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -46.23 118.49 2.47 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.49 2.793 . . . . 0.0 113.459 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.9 m -92.4 154.35 42.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.849 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.82 125.52 14.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.077 1.851 . . . . 0.0 111.187 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -72.01 -35.1 69.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.747 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -111.97 121.27 44.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.117 177.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD12 ' HG ' ' A' ' 87' ' ' SER . 64.8 mt -122.27 162.77 20.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.189 -177.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' HB2' ' HZ1' ' A' ' 25' ' ' LYS . 9.5 mtmp? -119.47 161.18 20.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.937 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.57 112.34 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.999 0.428 . . . . 0.0 110.068 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.92 -2.92 33.69 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.773 -176.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.57 141.65 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.294 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 m -112.53 112.59 24.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.48 119.62 30.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.271 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -89.88 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.282 0.563 . . . . 0.0 110.464 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.694 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 37.3 mt -87.04 98.79 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.411 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.4 mtt85 -88.17 119.76 28.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.764 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' A' ' 17' ' ' THR . 25.0 m -118.2 140.55 49.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.01 -172.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -121.91 113.33 19.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HA ' HG12 ' A' ' 15' ' ' ILE . 7.8 tt -85.47 120.49 26.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.967 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -91.84 101.63 14.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.492 ' HE ' ' HG3' ' A' ' 79' ' ' GLU . 30.8 ptt180 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.122 0.487 . . . . 0.0 110.697 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.644 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -80.94 119.69 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.664 -177.363 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -98.13 123.33 42.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.706 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.454 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 83.8 m-85 -114.77 150.74 34.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.496 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.7 tt -130.24 138.62 53.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.321 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HB2' ' HA ' ' A' ' 70' ' ' PRO . 39.9 ptt180 -163.23 146.49 10.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.609 ' HE1' ' HB2' ' A' ' 68' ' ' LEU . 53.5 p90 -121.68 146.29 47.16 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.213 -177.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -106.17 124.2 49.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.466 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -114.53 95.93 41.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 94' ' ' THR . 22.5 Cg_exo -65.03 -46.66 5.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.014 2.476 . . . . 0.0 112.579 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -150.88 142.05 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.277 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.47 -160.36 23.96 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.545 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.94 91.95 1.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.15 130.98 3.43 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.185 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.7 m -94.75 112.19 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.738 0.304 . . . . 0.0 110.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -100.97 109.87 21.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.271 0.557 . . . . 0.0 110.429 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HG2' HG22 ' A' ' 67' ' ' VAL . 54.1 mtmt -106.13 160.44 15.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.429 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.7 ttp -92.24 169.49 10.56 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.551 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.6 p -53.6 -31.53 47.43 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.174 0.59 . . . . 0.0 112.399 -177.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.99 -6.98 52.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.323 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.39 -9.53 71.77 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -64.29 122.65 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.389 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.525 HG22 ' HG2' ' A' ' 61' ' ' LYS . 55.8 t -74.96 122.75 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.609 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 69.6 mt -87.06 141.89 28.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.836 0.35 . . . . 0.0 111.049 -173.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.508 ' HB3' ' OD1' ' A' ' 71' ' ' ASN . 3.1 mm? -127.35 154.36 77.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.18 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 72.6 Cg_endo -80.7 -22.89 6.16 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.399 2.066 . . . . 0.0 112.742 176.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.508 ' OD1' ' HB3' ' A' ' 69' ' ' LEU . 24.2 p-10 -89.6 -24.21 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.786 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -111.9 112.01 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.6 tp -87.0 117.23 25.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.121 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 85.2 m-85 -104.44 146.36 32.45 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.577 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.2 Cg_endo -86.77 155.29 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.977 2.451 . . . . 0.0 112.032 176.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -84.2 140.82 39.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.82 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.96 -31.56 15.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.649 2.233 . . . . 0.0 113.132 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.76 -163.83 30.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.038 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.492 ' HG3' ' HE ' ' A' ' 38' ' ' ARG . 1.9 mp0 -70.26 -46.63 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.7 m -98.78 106.34 18.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.097 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -131.37 163.4 27.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.551 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 56.0 mtt85 -124.69 131.65 53.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.488 -175.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.694 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.7 mt -106.37 119.03 38.18 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.987 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.8 100.08 11.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.282 0.563 . . . . 0.0 110.587 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -91.43 107.09 18.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.433 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -88.89 108.57 19.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.091 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.441 ' HG ' HD12 ' A' ' 24' ' ' LEU . 16.3 m -76.93 105.2 7.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.995 -177.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.03 1.4 45.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.72 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.3 p -109.51 162.51 14.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.309 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -123.28 11.14 9.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 110.638 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -137.89 -175.22 4.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.206 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 49.5 tt0 -60.57 133.31 55.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.349 0.595 . . . . 0.0 112.009 -174.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -142.96 135.92 28.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.197 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.431 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 62.2 m -110.75 127.55 55.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.229 0.538 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.57 120.28 57.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.691 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -102.11 113.06 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.8 114.54 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.36 118.86 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -109.23 115.34 29.83 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 170.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 10.5 pt20 -126.39 148.78 49.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.145 0.498 . . . . 0.0 112.321 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.46 ' OD2' ' HB3' ' A' ' 105' ' ' GLN . 34.1 m-20 -88.03 163.78 16.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.336 173.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.453 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 11.6 p -73.16 -5.44 39.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.646 0.736 . . . . 0.0 109.587 170.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -79.73 -22.49 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.197 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.82 -12.73 35.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.46 ' HB3' ' OD2' ' A' ' 101' ' ' ASP . 7.6 tt0 -76.89 144.42 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 pp -147.95 149.35 32.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.405 0.621 . . . . 0.0 111.729 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -120.45 109.75 15.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.727 172.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -96.72 127.06 42.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.122 0.487 . . . . 0.0 110.372 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.5 mt -105.52 113.41 26.96 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.113 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -92.53 114.1 26.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.436 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.501 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.9 m-85 -105.9 118.28 36.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.556 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.1 m -108.93 108.1 18.72 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 98.6 m-85 . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.67 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.84 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 84.7 m-85 . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 121.018 0.437 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -123.95 124.15 41.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.52 ' HB ' ' NE2' ' A' ' 107' ' ' GLN . 12.8 mm -101.63 105.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.22 133.67 35.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.878 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 p -125.03 145.58 49.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -86.27 145.58 40.52 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.24 145.04 68.16 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.936 2.424 . . . . 0.0 112.743 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 32' ' ' ILE . 26.9 m -120.21 155.99 55.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -60.45 144.76 99.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.645 2.23 . . . . 0.0 111.77 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -89.28 -40.44 12.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -175.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -98.73 111.14 23.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.39 123.8 45.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 28' ' ' GLU . 22.3 pttm -86.13 164.69 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.639 177.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' A' ' 88' ' ' ALA . 43.3 t -70.28 126.71 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.81 0.338 . . . . 0.0 110.122 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.94 2.24 66.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.856 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 28.2 tt0 -90.07 145.21 25.24 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.6 m -111.57 118.13 34.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.899 0.38 . . . . 0.0 111.36 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.18 117.27 33.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.538 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -80.92 110.77 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 HG11 ' A' ' 20' ' ' VAL . 47.5 mt -93.08 99.51 9.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -78.43 127.58 32.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -125.26 126.8 45.71 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.528 -175.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.511 ' HA ' HE21 ' A' ' 35' ' ' GLN . 0.0 OUTLIER -119.21 113.28 20.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.542 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.85 104.78 17.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -89.64 100.7 13.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 -173.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.619 HH22 HG22 ' A' ' 45' ' ' THR . 12.4 ptm180 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.619 HG22 HH22 ' A' ' 38' ' ' ARG . 27.4 m . . . . . 0 N--CA 1.444 -0.726 0 CA-C-O 121.116 0.484 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -118.47 142.98 47.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.02 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.646 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 43.7 m-85 -97.38 124.49 41.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.888 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.494 ' HB3' HD11 ' A' ' 73' ' ' LEU . 86.6 m-85 -124.8 148.2 48.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.704 0.288 . . . . 0.0 110.448 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.91 144.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -153.16 166.07 33.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 1.05 ' HH ' HD11 ' A' ' 68' ' ' LEU . 17.5 m-85 -132.0 164.74 25.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.776 -173.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.587 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 75.5 t80 -135.96 140.62 44.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -116.84 94.63 44.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.1 Cg_endo -76.37 -47.0 0.16 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.967 1.778 . . . . 0.0 111.685 175.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -147.08 137.68 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.22 -179.26 25.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.255 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.67 134.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.922 0.391 . . . . 0.0 110.572 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.56 133.81 3.58 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.859 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.3 m -87.66 110.68 20.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 83' ' ' LEU . 36.7 tp -100.69 119.58 38.8 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -109.71 149.45 29.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.6 ttm -82.65 166.74 18.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.45 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 3.8 p -52.22 -31.52 32.44 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.49 -2.13 37.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.658 0.266 . . . . 0.0 111.597 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.38 -5.7 77.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.205 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -59.93 117.73 5.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.524 0.33 . . . . 0.0 111.239 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -75.7 124.31 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.333 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 1.05 HD11 ' HH ' ' A' ' 51' ' ' TYR . 7.0 mt -103.06 127.54 50.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.967 -175.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.62 155.35 37.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.461 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.36 158.05 52.2 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.53 2.153 . . . . 0.0 112.89 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.7 t30 71.85 -37.17 0.38 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.276 1.03 . . . . 0.0 112.436 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.74 135.18 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 48' ' ' PHE . 35.3 tp -90.39 115.49 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.382 . . . . 0.0 110.955 -175.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -103.89 146.15 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.95 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -88.99 137.0 3.1 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.006 2.471 . . . . 0.0 111.692 173.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.646 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 92.7 mt -92.92 131.21 33.98 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.364 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.03 5.83 4.23 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.916 2.411 . . . . 0.0 112.993 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 173.09 -164.59 36.58 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.358 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -110.5 -11.82 14.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.355 0.597 . . . . 0.0 110.197 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 m -111.35 98.29 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.82 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -145.07 158.38 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.094 0.473 . . . . 0.0 111.242 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.466 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.492 ' HB3' HD12 ' A' ' 60' ' ' LEU . 85.2 mt -108.12 133.8 51.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.45 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 68.0 m-85 -103.11 101.56 11.53 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.175 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -87.56 116.31 25.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.2 m -103.88 107.83 18.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.103 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 129.67 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -121.75 -0.96 9.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.875 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.697 ' HG ' ' HG2' ' A' ' 93' ' ' GLN . 24.3 p -122.19 152.22 40.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 176.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 m -91.26 -26.28 19.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.074 0.464 . . . . 0.0 110.966 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -94.41 -159.07 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.12 117.23 3.55 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 111.388 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.89 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 61.0 mt-30 -101.77 111.99 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.326 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.487 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 5.8 m -115.6 105.62 12.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.923 0.392 . . . . 0.0 110.616 -178.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.77 114.14 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.576 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 5.1 t0 -92.74 111.41 23.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.3 t -108.86 131.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.702 0.286 . . . . 0.0 111.246 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.444 ' HB3' HD12 ' A' ' 106' ' ' LEU . 64.4 m-85 -115.91 122.01 44.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.9 113.6 26.65 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.486 ' HB3' HD13 ' A' ' 106' ' ' LEU . 20.7 pt20 -122.19 137.81 54.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.61 0.719 . . . . 0.0 111.614 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -112.51 155.25 24.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.761 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.61 ' OG ' ' HA ' ' A' ' 45' ' ' THR . 11.2 p -74.28 0.47 14.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.944 0.402 . . . . 0.0 111.709 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -78.71 -14.05 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.179 0.514 . . . . 0.0 109.673 171.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.08 1.62 45.09 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.699 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.84 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 11.2 tp60 -80.24 125.85 30.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 100' ' ' GLN . 59.7 tp -128.33 116.23 19.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.024 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.52 ' NE2' ' HB ' ' A' ' 15' ' ' ILE . 7.6 tt0 -114.33 118.17 33.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -97.26 146.27 25.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.78 114.59 12.79 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 m -94.52 112.66 24.43 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.019 0.438 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.68 119.36 37.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -105.24 108.2 19.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.544 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.89 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 93.2 m-85 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 19.0 m-85 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.141 0.496 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -127.57 125.63 40.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.812 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.495 HD12 HD13 ' A' ' 36' ' ' LEU . 51.1 mt -101.52 115.24 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.942 0.401 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -93.81 116.34 28.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.442 HG23 ' HZ ' ' A' ' 111' ' ' PHE . 32.2 p -93.23 135.82 34.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.413 ' CG ' ' HB2' ' A' ' 33' ' ' ARG . 95.9 mmm -64.53 134.31 95.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.75 124.13 11.82 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.474 2.782 . . . . 0.0 112.573 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 15.8 m -79.15 157.74 75.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.931 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 97.7 Cg_endo -85.4 171.22 8.89 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.58 2.853 . . . . 0.0 114.173 -171.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -107.55 10.66 29.18 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.093 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -140.33 136.84 33.62 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.09 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.75 146.4 34.26 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.719 0.295 . . . . 0.0 110.385 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -109.04 136.14 49.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.74 111.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 0.0 110.352 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.11 -2.42 29.91 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.735 -175.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -95.56 158.29 15.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.941 0.4 . . . . 0.0 110.233 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 30.0 m -107.72 140.61 40.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.49 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.28 122.23 47.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.644 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 84' ' ' TYR . 20.2 pt-20 -88.82 100.36 13.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mt -84.35 102.89 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.299 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 96.0 mtt180 -87.39 119.83 28.07 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.155 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.436 ' SG ' HG22 ' A' ' 17' ' ' THR . 31.9 m -120.29 127.37 52.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -112.02 112.81 24.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.196 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 HD13 HD12 ' A' ' 15' ' ' ILE . 10.6 tt -89.12 120.85 30.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.9 114.56 21.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.477 ' NE ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 121.096 0.474 . . . . 0.0 111.453 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.233 0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.85 129.06 46.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.795 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 33.0 m-85 -103.93 148.3 26.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.718 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.524 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 95.1 m-85 -125.32 139.62 53.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.631 0.253 . . . . 0.0 110.667 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -124.72 131.09 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.38 0.61 . . . . 0.0 111.388 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -152.2 142.5 22.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 174.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.606 ' HE2' HE21 ' A' ' 53' ' ' GLN . 37.4 p90 -133.31 166.45 22.46 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.48 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -136.78 122.82 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.606 HE21 ' HE2' ' A' ' 51' ' ' TYR . 9.8 pt20 -113.1 105.0 55.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.165 0.507 . . . . 0.0 110.368 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.45 -20.66 18.03 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 123.014 2.476 . . . . 0.0 111.785 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -97.67 153.66 18.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.959 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.17 96.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.522 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.56 ' HB3' ' OH ' ' A' ' 85' ' ' TYR . . . -117.09 -158.72 0.71 Allowed 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.623 0.249 . . . . 0.0 111.423 -174.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.85 -161.07 27.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.073 -174.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -105.75 128.3 53.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.369 . . . . 0.0 110.841 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 83' ' ' LEU . 60.8 tp -102.23 123.19 45.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HZ2' HG22 ' A' ' 67' ' ' VAL . 68.5 mttm -109.69 161.89 14.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.17 0.509 . . . . 0.0 110.043 174.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.3 ttp -107.56 157.76 17.78 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -56.36 -20.1 17.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -70.18 -21.79 63.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.382 0.611 . . . . 0.0 110.46 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.18 -7.04 34.83 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.62 132.37 46.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.397 -0.401 . . . . 0.0 111.126 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.427 HG22 ' HZ2' ' A' ' 61' ' ' LYS . 96.9 t -88.92 126.0 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.6 mt -94.5 112.3 24.06 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.052 0.453 . . . . 0.0 110.841 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.63 144.36 27.71 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.761 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.54 -2.07 8.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.967 2.445 . . . . 0.0 112.461 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -85.31 -33.93 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.601 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.3 163.51 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.955 0.407 . . . . 0.0 111.637 -171.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.5 tp -107.2 119.15 38.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.297 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.61 148.1 35.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -85.75 132.07 4.03 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.503 2.135 . . . . 0.0 112.472 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 77.3 mt -83.49 115.8 61.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.203 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.22 5.59 5.88 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.038 2.492 . . . . 0.0 113.403 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -156.89 152.23 23.59 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.839 -177.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HG2' ' NE ' ' A' ' 38' ' ' ARG . 2.3 mp0 -79.35 -42.91 24.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.272 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.3 p -102.8 101.51 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.402 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -126.7 150.46 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.51 . . . . 0.0 111.402 -172.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -114.85 135.35 54.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.951 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 60' ' ' LEU . 83.8 mt -109.51 136.09 49.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.768 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 40.1 m-85 -106.21 100.94 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.372 0.606 . . . . 0.0 111.056 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.56 ' OH ' ' HB3' ' A' ' 57' ' ' ALA . 42.8 t80 -98.83 107.7 20.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 18.7 m -88.2 107.28 18.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -92.55 139.63 30.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.56 20.11 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.197 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.553 ' HB3' ' NE2' ' A' ' 93' ' ' GLN . 9.4 t -130.95 152.17 50.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.104 -178.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -111.28 2.81 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.544 0.687 . . . . 0.0 109.883 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.37 174.56 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.596 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.4 103.56 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.4 0.619 . . . . 0.0 109.606 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.553 ' NE2' ' HB3' ' A' ' 89' ' ' SER . 21.8 mt-30 -94.23 119.2 32.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.412 -173.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.7 m -88.54 105.93 17.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 0.0 110.347 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 t -108.64 101.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -97.16 110.92 23.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -106.31 134.5 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.091 0.472 . . . . 0.0 111.077 -173.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.481 ' HB3' HD12 ' A' ' 106' ' ' LEU . 57.1 m-85 -111.86 116.45 30.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.404 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.97 112.81 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.541 ' HB3' HD13 ' A' ' 106' ' ' LEU . 4.5 pt20 -124.65 164.38 20.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.682 -178.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.07 175.41 9.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.615 -177.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.9 m -72.99 -21.33 60.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.083 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.89 -14.71 58.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.55 9.79 20.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.107 -1.044 . . . . 0.0 114.138 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -83.58 155.42 23.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.645 0.723 . . . . 0.0 110.175 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 100' ' ' GLN . 35.5 tp -147.08 116.07 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.42 114.53 27.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.414 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -92.73 128.47 38.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.6 mt -120.39 109.11 14.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 m -99.29 113.65 26.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.88 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.442 ' HZ ' HG23 ' A' ' 17' ' ' THR . 92.8 m-85 -109.88 122.73 48.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.221 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 p -95.38 107.43 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.838 -177.068 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.193 0.52 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.0 m -105.23 119.84 40.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.418 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.97 122.78 61.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.282 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.83 142.47 37.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.104 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 p -122.39 131.13 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.109 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.4 mtp -69.2 133.89 89.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -43.65 125.93 5.25 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.688 2.925 . . . . 0.0 113.092 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.1 m -86.37 164.51 37.78 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.908 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.45 148.01 82.85 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.743 2.295 . . . . 0.0 112.01 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -81.72 -45.05 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.644 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -124.9 136.98 54.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.758 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 87' ' ' SER . 65.6 mt -119.18 115.45 24.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.738 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -77.58 153.25 33.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.501 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.02 114.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.767 0.318 . . . . 0.0 110.281 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.63 3.54 22.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.616 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -91.12 149.09 21.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.563 -0.374 . . . . 0.0 110.533 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 m -120.13 107.51 13.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 0.0 110.082 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.06 126.16 34.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.496 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 39.5 mt-10 -87.92 100.32 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.28 175.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.89 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 57.2 mt -80.51 99.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 175.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 32.5 mtm-85 -88.28 115.5 25.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.252 0.548 . . . . 0.0 110.498 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.2 t -125.39 134.75 52.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.433 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -138.27 121.04 16.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.136 0.494 . . . . 0.0 111.059 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 10.2 tt -75.68 112.71 12.33 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 168.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -82.78 100.33 10.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.398 0.618 . . . . 0.0 111.212 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.84 176.642 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.222 0.534 . . . . 0.0 111.854 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -107.26 138.39 43.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.352 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.869 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 28.2 m-85 -99.19 150.59 21.9 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.584 ' HB2' ' HB2' ' A' ' 100' ' ' GLN . 91.9 m-85 -132.77 154.45 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.8 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.9 tt -141.72 141.56 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -152.95 166.53 32.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.603 ' HE1' HD11 ' A' ' 68' ' ' LEU . 87.7 m-85 -136.5 166.3 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.894 0.378 . . . . 0.0 111.922 -177.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -157.83 114.63 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.781 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -109.53 112.22 58.96 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.05 175.767 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 3.5 Cg_exo -80.87 -7.19 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 123.179 2.586 . . . . 0.0 112.37 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -128.57 -175.71 3.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.891 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.31 127.14 7.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.294 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.07 -173.36 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.594 0.235 . . . . 0.0 110.908 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.04 -137.92 9.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.157 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.3 m -110.31 134.22 52.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 110.668 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.504 HD13 ' HB2' ' A' ' 85' ' ' TYR . 44.2 tp -125.58 125.78 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -177.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 50.2 mtmt -135.2 159.77 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.4 ttp -83.73 159.2 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -52.45 -26.0 11.58 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.26 -23.42 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.42 -3.62 15.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.4 m -73.65 118.12 16.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.101 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.528 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 40.7 t -69.79 128.99 33.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.603 HD11 ' HE1' ' A' ' 51' ' ' TYR . 57.5 mt -101.92 99.51 9.71 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 81.7 mt -102.9 154.65 37.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.993 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 16.4 Cg_exo -69.59 -9.98 27.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.143 2.562 . . . . 0.0 112.276 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -76.04 -38.62 56.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -113.39 156.13 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -173.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -106.78 112.42 25.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -96.29 136.11 22.17 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -173.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.63 136.92 12.53 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.667 2.245 . . . . 0.0 111.527 174.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.9 mt -89.14 114.91 62.14 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.084 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.15 -3.66 14.16 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.4 160.06 32.28 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.744 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -90.61 -13.26 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.094 0.474 . . . . 0.0 110.778 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 111.7 21.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.154 176.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -154.71 166.63 32.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 -175.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 97.2 mtt180 -118.77 147.46 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.459 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.89 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 39.1 mt -115.47 134.26 55.25 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.772 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 57.0 m-85 -110.97 110.1 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.504 ' HB2' HD13 ' A' ' 60' ' ' LEU . 74.0 t80 -107.93 122.95 47.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 178.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -97.6 117.0 30.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.879 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 2.5 p -74.85 115.93 15.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.187 0.518 . . . . 0.0 111.504 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.09 21.11 4.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -119.68 162.83 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.665 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 p -123.12 -0.08 8.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 111.908 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -113.44 -167.42 1.2 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -72.26 111.59 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.708 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 21.8 mt-30 -83.07 111.04 18.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.347 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -105.64 109.03 20.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.142 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.63 117.94 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -96.36 118.28 32.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.514 HG22 ' HE2' ' A' ' 51' ' ' TYR . 40.5 t -99.1 126.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.755 -176.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -107.06 118.5 36.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.687 0.279 . . . . 0.0 111.149 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -109.85 133.37 53.23 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.696 ' HG2' HD23 ' A' ' 106' ' ' LEU . 25.8 mt-30 -132.7 150.04 52.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.73 0.3 . . . . 0.0 110.951 -177.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 159.21 17.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.789 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.1 p -71.24 -9.65 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.748 0.785 . . . . 0.0 109.535 173.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.79 -17.06 56.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.36 18.38 26.38 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.035 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.59 138.53 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.696 HD23 ' HG2' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -122.0 116.0 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.213 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -126.57 109.59 12.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 4.5 pt20 -114.24 133.23 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.302 0.573 . . . . 0.0 111.42 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.46 113.19 18.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.923 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.7 m -94.16 113.88 25.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.837 0.351 . . . . 0.0 110.535 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.04 136.54 41.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.671 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.0 p -120.33 108.53 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.708 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 98.3 m-85 . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.2 p90 . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.077 0.465 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t -106.6 128.49 54.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.58 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 35' ' ' GLN . 57.8 mt -132.24 105.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 109.866 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -104.68 153.75 20.85 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.479 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.502 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 41.1 p -119.37 143.15 47.59 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.409 -177.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.6 mtt -72.79 147.93 89.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.55 127.84 23.96 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.162 2.575 . . . . 0.0 112.662 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 m -105.11 155.68 37.33 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.562 -174.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 127.39 10.09 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.753 2.302 . . . . 0.0 110.997 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.81 -27.67 40.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.047 0.451 . . . . 0.0 110.454 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -110.0 121.58 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.271 0.558 . . . . 0.0 110.51 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 HD12 HE21 ' A' ' 93' ' ' GLN . 85.0 mt -122.6 170.74 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.502 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HD3' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.77 152.86 41.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 89' ' ' SER . 20.3 t -58.01 121.26 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 173.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.3 -15.75 58.67 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.148 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 13.6 mm-40 -79.23 125.52 29.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.433 . . . . 0.0 109.954 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.8 m -100.62 117.13 34.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.187 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.33 113.75 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -78.96 108.82 12.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.845 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -102.81 99.91 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -83.39 133.06 34.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.486 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.9 m -116.87 146.9 42.62 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.771 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 7.1 tp60 -116.9 112.78 21.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 7.5 tt -99.8 122.01 42.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -129.92 117.13 19.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.199 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 9.5 ptm180 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.082 172.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.853 0.359 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 102' ' ' SER . 67.7 mttm -99.21 140.21 33.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.116 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.815 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 55.8 m-85 -102.01 146.42 27.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.094 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 78.0 m-85 -127.73 150.1 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 0.0 110.758 -178.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.87 140.35 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.702 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 26.2 ttp180 -162.1 135.5 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.616 ' HE2' HE21 ' A' ' 53' ' ' GLN . 39.3 p90 -138.41 166.79 23.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.541 -173.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -132.75 125.17 29.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.778 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.616 HE21 ' HE2' ' A' ' 51' ' ' TYR . 6.8 pt20 -112.87 94.48 29.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.73 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.36 -46.87 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.447 2.098 . . . . 0.0 112.673 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -116.37 -28.99 6.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.064 -176.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.544 ' HA2' ' O ' ' A' ' 92' ' ' GLN . . . -72.4 94.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.567 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -83.42 98.57 9.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.196 0.522 . . . . 0.0 110.764 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.6 161.17 32.97 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.097 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.459 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 29.7 m -98.13 114.29 26.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 83' ' ' LEU . 38.0 tp -94.24 116.96 29.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.533 . . . . 0.0 110.665 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -106.26 151.07 25.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.228 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.452 ' HE1' HD22 ' A' ' 68' ' ' LEU . 45.7 ttm -82.29 164.28 21.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.93 -23.6 19.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.423 ' CG ' ' HG1' ' A' ' 66' ' ' THR . 1.8 p-10 -86.83 -15.73 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.698 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.75 -6.09 24.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.06 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.423 ' HG1' ' CG ' ' A' ' 64' ' ' ASP . 94.1 m -67.61 125.62 26.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.765 0.283 . . . . 0.0 111.521 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.44 121.26 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD22 ' HE1' ' A' ' 62' ' ' MET . 54.8 mt -91.47 118.81 30.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.339 -173.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 4.1 mm? -76.15 124.56 88.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 171.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 88.5 Cg_exo -47.33 -49.23 13.4 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.498 2.798 . . . . 0.0 114.022 -172.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -87.38 4.41 43.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -103.48 144.92 30.76 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.968 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 48' ' ' PHE . 33.2 tp -93.71 111.31 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.696 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -105.07 151.88 39.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -86.05 147.3 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.645 2.23 . . . . 0.0 112.184 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.815 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.3 mt -94.84 129.75 35.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.85 -23.72 30.05 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.932 2.421 . . . . 0.0 113.106 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.28 -177.43 39.93 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.042 -1.075 . . . . 0.0 112.856 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -82.79 -34.43 27.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -94.42 40.99 1.09 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.219 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -75.18 163.56 27.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.343 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.87 145.74 52.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.649 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 60' ' ' LEU . 96.0 mt -116.45 139.48 50.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -117.2 109.35 16.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 0.0 110.983 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -95.32 106.35 18.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.619 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.459 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.9 m -86.95 106.75 18.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.543 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -66.88 130.38 42.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.97 23.78 3.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.713 0.292 . . . . 0.0 111.648 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 26' ' ' VAL . 15.8 t -126.3 -178.76 4.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -61.12 -43.4 98.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 149.28 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.446 -1.706 . . . . 0.0 110.38 150.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.544 ' O ' ' HA2' ' A' ' 56' ' ' GLY . 5.9 tm0? -105.39 118.1 35.7 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.072 168.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.621 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 17.3 mp0 -119.72 108.17 14.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.817 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 m -143.6 105.55 4.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.819 171.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.95 135.03 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.086 -174.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -101.37 112.2 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.84 116.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.467 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 91.7 m-85 -93.12 126.82 38.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.319 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CE2' HD13 ' A' ' 109' ' ' LEU . 81.5 m-85 -109.02 114.46 28.22 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.544 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 11.3 tt0 -108.33 120.43 42.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.788 -169.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -91.03 152.47 20.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.912 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 17.4 t -67.99 -15.28 63.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.676 -175.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -79.47 -9.18 59.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.3 10.8 33.09 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 177.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -103.17 126.48 50.36 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.458 ' HB3' ' HG3' ' A' ' 100' ' ' GLN . 3.1 pp -123.21 135.01 54.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.131 0.491 . . . . 0.0 110.346 177.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -110.71 118.26 35.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.47 -177.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -90.33 107.64 19.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.282 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 99' ' ' PHE . 67.7 mt -100.91 115.12 29.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.833 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -92.73 120.8 33.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.47 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.502 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.1 m-85 -105.51 118.0 35.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 m -128.26 109.7 11.72 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.621 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 2.3 m-85 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.301 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' A' ' 38' ' ' ARG . 13.3 t -168.1 110.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 167.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.455 HD12 ' HE1' ' A' ' 13' ' ' PHE . 41.1 mt -129.64 133.04 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.565 0.222 . . . . 0.0 111.341 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.35 135.45 43.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.457 HG21 HD12 ' A' ' 109' ' ' LEU . 36.9 p -119.36 126.97 52.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.554 -173.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.462 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.5 mpt? -72.23 130.2 86.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -58.4 146.31 90.55 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.05 2.5 . . . . 0.0 112.805 -177.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG11 HG12 ' A' ' 32' ' ' ILE . 28.7 m -96.4 167.05 12.98 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.561 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 32.9 Cg_exo -57.65 141.94 95.6 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.324 2.016 . . . . 0.0 111.362 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -71.18 -48.29 52.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.331 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -108.17 138.03 45.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.503 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -133.0 151.65 52.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.094 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.22 161.8 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.954 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.56 111.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.61 2.77 32.71 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.993 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -88.62 158.89 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 m -127.13 119.71 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 110.787 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.26 114.1 27.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -84.86 102.01 12.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.235 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.615 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 31.1 mt -82.4 98.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -82.45 114.56 20.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' HG23 ' A' ' 17' ' ' THR . 25.5 m -121.09 126.69 50.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -114.02 120.35 40.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.999 0.428 . . . . 0.0 110.205 174.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -85.84 121.2 28.16 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 172.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -128.81 106.31 8.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.66 -174.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.581 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.6 mmm180 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 112.829 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 102' ' ' SER . 6.1 m . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.26 159.07 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.454 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 65.8 m-85 -109.4 133.25 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.836 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.502 ' HB3' HD21 ' A' ' 73' ' ' LEU . 83.1 m-85 -124.93 136.78 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.385 . . . . 0.0 110.884 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.0 tt -111.94 133.66 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.476 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 23.0 ttp180 -156.21 106.22 2.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.346 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.498 ' CB ' ' HA ' ' A' ' 97' ' ' VAL . 19.5 p90 -105.31 158.7 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.485 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.413 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 69.5 t80 -122.76 144.35 49.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.957 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -110.28 94.69 19.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HD2' ' O ' ' A' ' 94' ' ' THR . 24.3 Cg_exo -63.66 -38.01 43.25 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.109 1.873 . . . . 0.0 110.149 173.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.699 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 30.9 m-20 -108.99 106.82 16.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 171.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.95 72.69 1.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.499 -174.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.55 122.27 9.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.496 0.188 . . . . 0.0 110.501 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.25 154.52 9.41 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.616 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.467 HG22 ' HG3' ' A' ' 61' ' ' LYS . 90.4 m -122.32 111.85 17.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.725 0.298 . . . . 0.0 110.506 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 83' ' ' LEU . 53.2 tp -94.03 115.33 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.467 ' HG3' HG22 ' A' ' 59' ' ' THR . 36.1 mtmm -120.4 152.98 37.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.733 0.301 . . . . 0.0 110.669 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.6 ttm -84.92 163.09 19.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.523 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -57.83 -20.35 35.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.28 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.44 ' CG ' ' HG1' ' A' ' 66' ' ' THR . 4.3 p-10 -89.27 -7.56 55.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.747 0.308 . . . . 0.0 110.802 -178.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.13 -3.07 37.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.06 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.44 ' HG1' ' CG ' ' A' ' 64' ' ' ASP . 89.2 m -68.31 124.55 23.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.725 0.298 . . . . 0.0 111.278 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -81.93 116.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.815 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.7 mt -84.88 122.38 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.816 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.7 mt -93.05 143.26 26.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.864 0.364 . . . . 0.0 111.196 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.3 132.84 40.43 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.489 2.126 . . . . 0.0 111.883 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 73.08 -6.42 1.71 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.439 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -88.96 150.9 22.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.502 HD21 ' HB3' ' A' ' 48' ' ' PHE . 6.7 tt -118.72 129.3 55.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.707 0.289 . . . . 0.0 111.029 -170.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -131.11 156.8 79.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.909 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.44 149.39 11.61 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.886 2.39 . . . . 0.0 111.84 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -91.3 119.47 68.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.557 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 63.0 Cg_endo -94.44 6.23 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.267 2.645 . . . . 0.0 114.125 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -150.9 157.07 27.0 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 119.866 -1.159 . . . . 0.0 113.5 -176.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -93.49 -40.1 10.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -104.72 81.06 1.72 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.446 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.3 164.54 13.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.867 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.523 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 32.3 mtm180 -129.71 128.38 42.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.328 -178.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.615 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 89.8 mt -102.43 115.86 31.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.942 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -99.85 101.06 12.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.14 0.495 . . . . 0.0 110.932 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -86.8 114.26 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.129 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.7 m -85.65 113.54 21.95 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -73.59 108.4 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.391 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.44 -6.69 21.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.882 174.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.404 ' HG ' ' HB2' ' A' ' 93' ' ' GLN . 35.1 t -106.89 143.43 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.133 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.5 t -115.08 3.06 14.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.204 0.526 . . . . 0.0 109.978 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -119.83 -173.7 2.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.907 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -65.26 103.43 0.79 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.325 0.583 . . . . 0.0 110.547 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.699 ' HG2' ' HB2' ' A' ' 55' ' ' ASP . 25.0 tm0? -121.66 133.24 54.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.192 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.449 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 86.4 m -108.47 118.57 37.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -101.38 120.84 51.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.89 172.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -113.11 110.69 20.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.098 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.498 ' HA ' ' CB ' ' A' ' 51' ' ' TYR . 39.5 t -104.95 121.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 -173.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 97.4 m-85 -99.12 122.07 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.791 0.329 . . . . 0.0 110.776 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 39.7 m-85 -108.8 111.9 23.89 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -105.8 130.51 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.607 0.718 . . . . 0.0 112.18 -172.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -80.87 157.96 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.55 ' HB2' HG23 ' A' ' 45' ' ' THR . 49.3 m -69.37 -25.23 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.27 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -80.13 -20.13 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 0.0 110.819 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.84 -3.37 10.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.968 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -73.49 102.2 3.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -106.8 134.28 50.19 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.415 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -110.07 110.4 21.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.815 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -92.23 111.08 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.457 HD12 HG21 ' A' ' 17' ' ' THR . 68.1 mt -99.89 108.95 21.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.8 m -100.7 115.95 31.46 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.603 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -113.92 118.63 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.674 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 52.1 m -115.07 119.96 38.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -169.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.008 0.432 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -149.04 -48.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.538 ' HB2' HG13 ' A' ' 5' ' ' VAL . 5.8 m-20 66.23 -3.17 0.85 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.465 0.706 . . . . 0.0 112.894 170.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 60.34 24.86 14.34 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.942 0.497 . . . . 0.0 111.232 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 3' ' ' ASP . 4.1 p -108.98 103.5 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.614 0.721 . . . . 0.0 110.042 177.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -78.39 120.51 23.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.268 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.1 mt -75.98 99.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.751 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -145.54 120.29 9.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.341 173.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -100.22 84.7 2.87 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.437 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 22.8 p -119.84 168.83 10.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.17 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -89.08 112.14 49.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.639 0.257 . . . . 0.0 110.608 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 10' ' ' SER . 25.6 Cg_exo -62.91 122.36 10.61 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.777 2.318 . . . . 0.0 111.332 176.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -67.53 139.2 56.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.241 0.543 . . . . 0.0 111.102 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -107.81 134.35 50.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.876 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.22 113.01 43.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -86.44 110.45 19.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.515 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 74.9 p -109.84 139.78 44.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.546 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 7.2 ptp -71.23 145.5 91.03 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.086 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.69 110.9 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.623 2.216 . . . . 0.0 111.711 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -78.53 158.89 75.58 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.128 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -55.58 133.54 58.68 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.526 2.151 . . . . 0.0 111.931 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -89.98 -14.78 33.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.293 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.659 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 66.4 mttm -129.39 132.53 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.697 171.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.86 152.12 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.461 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -113.93 170.41 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.7 115.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.5 50.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.72 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.81 144.12 39.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.2 m -122.54 124.65 44.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.53 123.51 36.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.374 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -89.56 100.55 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 44.6 mt -93.68 98.59 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.252 0.548 . . . . 0.0 110.675 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HB3' ' HG2' ' A' ' 18' ' ' MET . 60.5 ttp85 -80.26 117.38 20.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.18 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.8 m -119.14 131.95 55.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -129.19 114.34 16.18 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.9 tt -88.63 116.73 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -176.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -91.88 113.63 25.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.568 ' NH1' ' HH ' ' A' ' 47' ' ' TYR . 17.6 ttt180 -150.31 117.9 6.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -63.62 154.92 31.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.381 0.61 . . . . 0.0 110.878 -176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . 77.94 -98.93 1.49 Allowed Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 -171.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.554 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 15.6 tpp180 178.54 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.95 ' HB2' ' HB ' ' A' ' 45' ' ' THR . 44.1 p90 176.43 164.18 0.42 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -130.09 93.61 3.52 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 52.97 31.96 11.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.787 0.803 . . . . 0.0 110.256 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.95 ' HB ' ' HB2' ' A' ' 42' ' ' PHE . 42.9 m -91.86 102.71 15.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.684 -177.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HE2' ' HB2' ' A' ' 46' ' ' LYS . 2.6 mppt? -96.13 142.36 28.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.568 ' HH ' ' NH1' ' A' ' 38' ' ' ARG . 89.9 m-85 -98.17 141.22 31.37 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.499 ' HB3' HD11 ' A' ' 73' ' ' LEU . 95.1 m-85 -114.19 124.43 52.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.0 tt -106.88 129.95 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.433 0.635 . . . . 0.0 111.419 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 50' ' ' ARG . 44.7 ttp180 -150.93 140.57 21.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -133.92 144.0 48.57 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.831 -176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -107.76 131.62 54.25 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -118.58 102.62 49.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.5 Cg_exo -61.85 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.9 2.4 . . . . 0.0 111.453 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.21 -73.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.226 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.46 -26.33 3.07 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 113.159 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB2' ' OG ' ' A' ' 89' ' ' SER . . . -128.09 172.95 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.308 0.554 . . . . 0.0 111.483 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 126.6 3.01 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.688 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -94.92 111.82 23.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.68 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 83' ' ' LEU . 51.7 tp -106.91 111.8 24.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HG2' HG22 ' A' ' 67' ' ' VAL . 58.1 mtmt -116.04 143.74 45.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.7 ttm -76.42 156.63 32.97 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' A' ' 82' ' ' ARG . 48.4 t -55.15 -28.05 49.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.87 0.367 . . . . 0.0 111.42 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.07 3.68 29.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.701 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.79 -3.81 65.45 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.093 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -71.75 116.49 12.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.51 HG22 ' HG2' ' A' ' 61' ' ' LYS . 96.8 t -76.95 126.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.5 mt -101.94 118.89 37.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 0.0 110.861 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -92.49 134.27 28.31 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.897 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.58 -33.62 96.84 Favored 'Trans proline' 0 N--CA 1.474 0.36 0 C-N-CA 123.185 2.59 . . . . 0.0 113.412 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -85.71 -7.93 58.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.308 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 4.1 t70 -99.41 -172.46 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 48' ' ' PHE . 54.4 tp -148.54 117.16 6.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CE1' ' HB3' ' A' ' 72' ' ' ASP . 79.8 m-85 -119.66 145.79 40.01 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.851 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 2.2 Cg_endo -82.57 141.27 11.01 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.885 2.39 . . . . 0.0 111.731 175.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.6 145.42 54.65 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.681 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.98 -10.24 18.05 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.717 2.278 . . . . 0.0 112.934 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -164.63 35.42 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.58 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -78.85 -31.38 45.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 0.0 110.555 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.7 p -96.05 98.47 10.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -138.17 153.27 49.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.35 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.517 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 91.1 mtm180 -129.71 143.09 50.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.2 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 60' ' ' LEU . 89.8 mt -119.64 129.18 54.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.696 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 90.8 m-85 -107.46 103.78 13.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.959 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.512 ' HB2' HD12 ' A' ' 60' ' ' LEU . 68.7 t80 -100.33 112.37 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.459 -178.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -93.44 108.42 20.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.888 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -71.82 126.25 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.0 20.79 11.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.331 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.465 ' OG ' ' HB2' ' A' ' 57' ' ' ALA . 20.0 m -127.38 153.63 46.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.508 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -98.08 10.88 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.053 0.454 . . . . 0.0 111.136 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -163.38 1.04 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.96 113.48 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.627 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.8 mp0 -80.59 110.08 15.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.28 0.562 . . . . 0.0 109.573 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.525 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 17.5 m -109.44 110.97 22.24 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.783 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -120.67 108.88 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.22 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 44.9 t0 -97.58 110.15 22.77 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.9 t -100.88 130.71 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.513 ' HB3' HD13 ' A' ' 106' ' ' LEU . 43.2 m-85 -111.74 122.66 48.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.376 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -108.61 111.9 23.96 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 173.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -103.43 122.71 45.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.025 0.441 . . . . 0.0 110.767 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.48 156.77 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.794 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.543 ' HB3' HG23 ' A' ' 45' ' ' THR . 30.0 t -68.33 -26.83 65.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.387 -176.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -81.45 -5.88 58.37 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 111.093 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.79 7.3 39.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -88.39 128.35 35.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.338 0.569 . . . . 0.0 109.882 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 98' ' ' TYR . 52.2 tp -106.91 123.76 48.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.48 109.68 20.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.822 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -105.9 133.75 50.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.0 111.278 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.26 109.76 12.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.56 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 4.4 m -94.02 113.67 25.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.335 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -104.22 125.92 50.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.3 p -107.33 108.51 19.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.982 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.627 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 74.2 m-85 -99.22 147.28 25.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.208 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.659 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 66.2 t30 65.55 59.64 0.76 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.831 0.707 . . . . 0.0 110.609 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -97.65 164.29 12.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -142.7 134.41 26.74 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.946 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.5 p -97.41 9.87 41.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.156 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.4 m 67.83 -177.67 0.21 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.243 -176.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.731 ' HB3' ' HB3' ' A' ' 122' ' ' GLU . 55.2 mtpt 62.47 45.85 6.1 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.193 0.308 . . . . 0.0 110.301 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -42.73 -59.4 1.95 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.379 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.49 -3.79 20.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.705 0.288 . . . . 0.0 111.0 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.731 ' HB3' ' HB3' ' A' ' 119' ' ' LYS . 21.2 tt0 -69.34 -27.79 65.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.226 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.66 98.66 4.11 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 167.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.34 78.91 1.35 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -111.04 66.39 0.63 Allowed 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 166.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -20.0 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.495 -166.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -77.36 105.69 8.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.101 0.477 . . . . 0.0 110.178 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -97.27 148.6 22.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.431 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -116.16 169.64 9.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.718 0.294 . . . . 0.0 110.469 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.488 -0.768 . . . . 0.0 109.788 175.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.653 0.263 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -170.17 -1.0 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.656 0.741 . . . . 0.0 109.467 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -89.59 -153.52 0.28 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.331 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.64 125.53 29.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.894 0.854 . . . . 0.0 111.928 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 t -135.57 19.04 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -101.94 -1.67 31.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.297 -1.774 . . . . 0.0 111.746 -164.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.98 109.04 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 58.45 61.46 2.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.809 -173.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.42 149.71 46.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.793 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 p -77.75 163.99 25.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -66.84 118.12 51.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.43 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.12 126.48 18.0 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.859 2.373 . . . . 0.0 113.021 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HE2' HD13 ' A' ' 15' ' ' ILE . 33.0 p90 -94.27 149.95 20.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.601 175.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 t -107.32 117.62 34.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.928 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.586 ' HB ' HE22 ' A' ' 107' ' ' GLN . 61.1 mt -103.72 108.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -99.92 156.59 17.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.216 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -131.3 150.89 51.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.461 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -73.91 150.62 88.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.077 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.59 107.71 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.06 161.29 68.87 Favored Pre-proline 0 C--O 1.238 0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.285 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.15 149.53 62.84 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.777 2.318 . . . . 0.0 111.749 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' HZ3' ' CG ' ' A' ' 116' ' ' ASP . 22.4 mtpp -83.11 -12.29 57.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -174.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -151.4 153.97 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -136.96 137.72 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.882 0.372 . . . . 0.0 111.136 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 54.5 tttm -81.72 154.2 26.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.785 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.87 119.8 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.49 -18.05 55.82 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -175.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 36.9 tt0 -77.66 129.11 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.1 m -108.69 129.7 55.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.054 0.454 . . . . 0.0 111.095 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 130.12 55.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.26 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.67 117.77 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 110.384 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.636 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 51.6 mt -101.26 99.68 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -80.28 128.49 33.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 t -118.73 150.82 39.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.427 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -140.01 113.4 8.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -88.66 108.78 19.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.12 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -91.58 106.69 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.461 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.705 HH21 ' HE2' ' A' ' 47' ' ' TYR . 68.9 mtt85 -86.06 137.96 32.3 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 171.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -121.36 -79.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.699 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.71 -10.69 72.14 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.944 -173.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 62.98 101.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.545 0.688 . . . . 0.0 111.357 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -123.4 64.03 1.01 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.569 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 68.89 -179.53 0.23 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.618 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -89.63 60.71 5.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.398 0.618 . . . . 0.0 109.829 176.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 t -66.15 146.48 54.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.448 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -90.59 129.08 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.705 ' HE2' HH21 ' A' ' 38' ' ' ARG . 68.8 m-85 -100.3 129.79 46.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.405 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.472 ' HB3' HD12 ' A' ' 73' ' ' LEU . 72.2 m-85 -118.46 139.92 50.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -176.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.4 tt -115.07 133.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 111.052 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' NE ' HD13 ' A' ' 73' ' ' LEU . 14.3 ptp180 -148.75 136.15 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.8 p90 -120.71 156.84 30.93 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.636 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -135.61 108.96 7.82 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.789 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' HG2' ' HE2' ' A' ' 51' ' ' TYR . 4.6 pt20 -104.52 114.3 64.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.186 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.72 -33.68 97.1 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.62 2.214 . . . . 0.0 111.051 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -86.0 106.82 17.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.509 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.39 63.85 4.36 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.809 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -158.97 87.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.991 0.424 . . . . 0.0 110.425 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.89 147.86 7.7 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.801 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.415 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 91.6 m -118.75 112.3 19.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.754 0.311 . . . . 0.0 110.857 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HG ' HD12 ' A' ' 68' ' ' LEU . 55.9 tp -111.28 109.31 19.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.891 0.377 . . . . 0.0 110.228 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 36.8 mtmm -116.05 145.87 42.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.015 0.436 . . . . 0.0 110.689 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.2 ttp -89.47 152.81 21.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -57.53 -23.95 53.29 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.03 -20.11 65.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.939 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.96 -1.27 38.45 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.1 m -73.61 121.65 21.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.992 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 55.4 t -80.36 120.82 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.559 HD12 ' HG ' ' A' ' 60' ' ' LEU . 73.6 mt -90.22 129.37 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -176.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 3.9 mm? -104.26 155.25 37.5 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.559 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 40.5 Cg_endo -68.76 131.25 22.23 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.233 1.955 . . . . 0.0 111.629 174.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.3 m120 74.58 -35.22 0.29 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.259 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HB2' ' HB2' ' A' ' 69' ' ' LEU . 2.8 m-20 -64.81 143.06 58.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.636 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.472 HD12 ' HB3' ' A' ' 48' ' ' PHE . 23.0 tp -105.78 129.41 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.545 -170.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 60.7 m-85 -123.25 135.94 26.52 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.631 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.4 Cg_exo -76.26 139.01 20.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.796 2.331 . . . . 0.0 111.924 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.2 117.36 68.13 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.661 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -87.18 1.14 7.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.169 2.579 . . . . 0.0 112.288 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.55 179.09 30.15 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.043 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 8.5 pt-20 -124.42 -18.54 5.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.017 0.436 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -110.3 31.11 6.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.281 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -66.64 151.61 47.02 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.181 -174.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -111.39 130.07 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.57 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.636 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.5 mt -102.9 138.34 39.91 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.317 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -118.49 102.85 9.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.106 0.479 . . . . 0.0 110.474 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -100.92 117.57 35.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.868 -177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.415 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.7 m -99.21 121.41 41.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.744 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 20.3 t -75.62 126.73 31.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -110.71 -4.04 15.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.211 0.529 . . . . 0.0 110.22 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.457 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . 42.1 t -112.57 148.68 34.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.822 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -111.61 8.56 20.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.467 0.651 . . . . 0.0 109.47 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -111.52 -165.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.024 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.509 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . 53.0 tp60 -56.58 118.09 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.729 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 9.8 tt0 -119.4 114.35 22.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.921 0.391 . . . . 0.0 110.191 -173.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 m -112.83 121.63 45.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.215 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -128.17 113.67 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.346 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -102.7 113.27 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.48 126.14 57.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -175.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.98 123.79 48.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -109.31 113.51 26.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 173.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.476 ' HB3' HD23 ' A' ' 106' ' ' LEU . 3.9 pt20 -115.36 145.17 42.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.349 0.595 . . . . 0.0 111.54 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 19.4 t70 -108.6 161.55 14.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.229 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -65.86 -25.7 67.31 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -79.34 -23.53 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.462 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.78 -3.08 7.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.982 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.497 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 13.7 mm100 -63.52 142.61 58.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.724 0.297 . . . . 0.0 110.343 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.8 tm? -142.4 116.62 9.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.586 HE22 ' HB ' ' A' ' 15' ' ' ILE . 20.7 tt0 -113.92 118.5 34.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -105.15 126.76 52.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.006 0.432 . . . . 0.0 110.921 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -114.81 110.4 19.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.01 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 m -92.74 113.49 25.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -97.82 119.35 36.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.461 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.4 m -108.67 110.57 22.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.173 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.729 ' HB2' ' HB3' ' A' ' 93' ' ' GLN . 83.1 m-85 -101.26 164.58 11.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.509 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . 9.4 t30 80.0 -67.15 0.14 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.724 0.81 . . . . 0.0 111.32 178.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -136.63 128.47 29.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.326 0.584 . . . . 0.0 111.269 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.403 ' CG ' ' HZ3' ' A' ' 22' ' ' LYS . 5.2 p-10 -140.67 -22.57 0.8 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.566 174.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.0 m 66.09 13.1 8.93 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.876 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.2 m -90.32 39.78 0.98 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.065 -0.397 . . . . 0.0 111.601 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -169.58 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 0.0 111.523 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.15 153.14 26.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.849 0.833 . . . . 0.0 112.471 -167.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.85 91.71 3.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.434 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.42 103.98 16.16 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.44 53.84 10.23 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.997 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 58.55 109.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.081 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.475 ' C ' ' H ' ' A' ' 127' ' ' HIS . 0.7 OUTLIER -84.15 48.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.55 178.778 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.616 ' HD2' ' HB3' ' A' ' 128' ' ' HIS . 72.3 t60 71.29 -24.82 0.17 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.026 0.931 . . . . 0.0 112.19 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 125' ' ' HIS . 70.1 t60 63.64 87.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.51 . . . . 0.0 110.105 -175.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.616 ' HB3' ' HD2' ' A' ' 126' ' ' HIS . 14.6 p80 -142.79 136.51 28.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.492 -177.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -161.97 127.78 3.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.571 174.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.311 179.666 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.7 t30 71.82 -89.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.389 0.676 . . . . 0.0 110.786 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -159.69 -65.21 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.319 0.58 . . . . 0.0 109.961 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -91.24 152.38 20.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.052 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -79.78 150.06 5.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -71.81 -173.8 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.691 0.282 . . . . 0.0 110.264 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 mm -72.42 115.66 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.935 0.397 . . . . 0.0 110.984 -175.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.12 156.58 35.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.577 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -81.08 87.11 6.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 p -91.5 11.93 22.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 63.95 83.65 0.2 Allowed Pre-proline 0 N--CA 1.465 0.276 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.688 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.46 166.12 14.02 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.939 2.426 . . . . 0.0 111.078 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -63.67 137.24 58.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.823 ' HA ' HE22 ' A' ' 107' ' ' GLN . 6.3 p -145.07 130.22 18.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.483 -177.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.0 mt -106.59 117.17 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 0.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.41 113.4 25.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.022 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -96.75 133.86 40.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.6 mmt -72.24 144.84 87.57 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.495 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.74 130.84 31.84 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.207 2.604 . . . . 0.0 112.738 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.511 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 27.5 m -99.76 161.38 24.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 25.9 Cg_endo -62.97 165.03 17.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.933 2.422 . . . . 0.0 112.234 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.64 -31.85 18.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 149.87 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.204 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.7 mt -127.19 143.1 51.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 87' ' ' SER . 49.1 mtpt -98.03 165.95 11.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.976 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.97 114.39 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.37 -3.57 59.78 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.804 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . 8.3 tp10 -83.56 125.3 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 28.0 m -103.93 118.95 37.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.925 0.393 . . . . 0.0 111.086 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.37 123.16 36.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.214 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -86.31 101.22 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 49.3 mt -93.14 99.08 9.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -81.88 126.69 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.2 m -113.17 127.17 56.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.345 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.63 111.72 22.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.654 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -86.65 123.32 31.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.05 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -81.77 107.38 14.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -88.89 106.75 18.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.135 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -110.21 -53.54 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.164 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.82 115.4 7.77 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.614 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -95.1 105.44 17.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 110.625 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -145.71 -150.33 0.32 Allowed 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.12 174.66 2.44 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 170.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.24 72.0 4.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.269 0.557 . . . . 0.0 110.182 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.1 t -54.9 140.68 36.14 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.707 171.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -107.7 140.22 41.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.382 0.611 . . . . 0.0 111.674 -169.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 1.1 m-85 -97.75 138.54 34.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.532 -175.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 73' ' ' LEU . 81.8 m-85 -125.58 149.9 47.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.76 0.314 . . . . 0.0 110.336 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.552 ' HB ' HD23 ' A' ' 76' ' ' LEU . 16.7 tt -121.77 134.75 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.212 0.53 . . . . 0.0 110.87 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 9.0 ttp180 -153.73 117.39 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.166 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 42.3 p90 -110.45 152.8 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.36 -176.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -122.24 121.03 35.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.951 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -110.96 94.02 19.19 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HD2' ' O ' ' A' ' 94' ' ' THR . 36.8 Cg_endo -67.35 -47.77 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.114 1.876 . . . . 0.0 112.134 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -144.17 120.78 11.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.99 -176.93 30.11 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 89' ' ' SER . . . -153.81 101.75 2.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.921 0.391 . . . . 0.0 110.606 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.437 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . -156.89 148.93 19.42 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.895 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -97.11 111.92 23.93 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -95.02 110.71 22.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.072 0.463 . . . . 0.0 110.522 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.035 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.472 ' SD ' ' HD3' ' A' ' 77' ' ' PRO . 38.1 ttp -96.74 165.07 12.3 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.526 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 2.4 p -55.31 -23.62 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.33 -4.69 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.686 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 7.35 76.86 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.8 m -80.38 119.17 22.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.123 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -76.94 112.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.61 152.56 27.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.2 156.06 75.23 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 7.6 Cg_exo -74.09 152.36 45.56 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.723 2.282 . . . . 0.0 112.247 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 94.3 m-20 77.33 -52.68 0.55 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.628 0.771 . . . . 0.0 112.31 177.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.21 165.25 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.469 HD11 ' HB3' ' A' ' 48' ' ' PHE . 36.8 tp -119.32 137.4 53.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -167.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -124.24 147.87 56.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.231 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.98 145.82 14.21 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.942 2.428 . . . . 0.0 112.79 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.552 HD23 ' HB ' ' A' ' 49' ' ' ILE . 87.5 mt -88.08 146.29 38.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD3' ' SD ' ' A' ' 62' ' ' MET . 58.2 Cg_endo -73.05 -19.95 22.38 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.007 2.472 . . . . 0.0 113.778 -175.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.23 -156.1 27.78 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.532 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -72.28 -47.81 47.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.427 . . . . 0.0 110.93 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -106.42 131.49 53.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -156.15 171.87 19.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 55.8 mtt180 -118.83 137.17 53.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.52 -177.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.45 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 79.4 mt -112.76 115.34 28.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 172.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.53 101.55 13.02 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.085 0.469 . . . . 0.0 110.462 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.437 ' CZ ' ' HA3' ' A' ' 58' ' ' GLY . 83.7 t80 -96.16 100.68 12.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.388 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 44.1 m -86.1 109.19 18.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.842 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 40.8 t -67.53 144.16 55.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.794 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.85 13.21 5.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 61.3 p -145.0 159.48 42.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.8 t -101.58 -9.43 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.841 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.85 177.54 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.981 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.6 ' HA ' ' HB2' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -70.04 151.18 45.82 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.062 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.603 ' O ' ' HA ' ' A' ' 112' ' ' SER . 88.6 mt-30 -128.04 115.87 19.14 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 -176.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.459 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 25.9 m -109.64 105.68 15.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.127 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.0 t -121.28 112.87 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.42 110.88 21.97 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.69 121.31 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.979 0.419 . . . . 0.0 110.598 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 40.5 m-85 -94.39 122.72 37.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.591 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -109.34 111.95 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HB3' HD23 ' A' ' 106' ' ' LEU . 16.1 pt20 -121.8 140.16 52.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.798 -174.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -115.74 158.65 22.51 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.669 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -71.89 -3.78 24.4 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -79.32 -17.83 53.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 109.457 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.7 -8.22 34.22 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.65 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.43 142.03 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 110.328 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.6 tm? -137.83 118.7 14.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.498 -176.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.823 HE22 ' HA ' ' A' ' 14' ' ' SER . 17.3 mt-30 -118.08 112.76 20.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.357 0.599 . . . . 0.0 110.827 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -93.3 112.4 24.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.392 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -105.46 112.56 25.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.009 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.5 m -92.4 113.41 25.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.121 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.78 121.6 41.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.222 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.603 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 10.4 t -121.54 108.69 13.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -96.72 147.91 23.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.898 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.6 ' HB2' ' HA ' ' A' ' 92' ' ' GLN . 89.3 m-20 62.25 88.02 0.1 Allowed 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.832 0.707 . . . . 0.0 109.455 -174.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -65.72 -76.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.042 -171.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 58.8 -81.9 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.693 0.621 . . . . 0.0 110.714 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.6 t 68.72 93.39 0.08 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.135 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.3 p -81.67 -71.05 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 169.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 61.99 20.27 11.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.407 165.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.435 ' HG2' ' HG2' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -77.84 -28.64 50.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.294 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.435 ' HG2' ' HG2' ' A' ' 120' ' ' GLU . 14.9 pt-20 -155.26 137.87 15.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.444 175.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 122' ' ' GLU . 1.0 OUTLIER -85.12 84.94 7.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.512 0.672 . . . . 0.0 111.12 -177.711 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.6 tp -145.98 102.85 3.69 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.522 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -173.07 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -81.51 118.01 22.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.784 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -76.91 132.58 39.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -81.0 149.04 29.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.139 -176.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -83.86 173.54 11.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -103.69 105.85 16.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.848 0.356 . . . . 0.0 110.615 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 29.5 t60 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.447 174.271 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -124.72 92.46 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.485 0.66 . . . . 0.0 110.658 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -124.79 -28.33 3.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.216 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -86.41 127.53 34.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.218 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.0 p -87.92 109.49 19.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.592 0.71 . . . . 0.0 111.107 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.18 -20.79 15.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.448 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.9 mt -54.3 122.58 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.616 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -80.74 103.91 10.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.841 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -106.51 1.5 25.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.57 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.5 t -72.85 97.47 2.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -130.02 108.22 16.65 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.222 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HB3' ' OD1' ' A' ' 39' ' ' ASP . 31.5 Cg_exo -60.9 -33.65 92.24 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 123.589 2.859 . . . . 0.0 113.268 -175.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 95.5 m-85 -124.29 137.82 54.45 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.594 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.2 m -154.29 156.29 36.71 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 99' ' ' PHE . 50.5 mm -112.5 115.34 49.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.319 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.49 116.82 29.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 0.0 110.271 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.477 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 26.8 p -101.8 137.31 40.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.201 -175.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.594 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 85.4 mtp -80.87 144.74 56.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.6 121.53 7.35 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.827 2.351 . . . . 0.0 112.689 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.527 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 33.8 m -83.32 164.89 43.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.432 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.527 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 10.9 Cg_endo -55.79 133.11 56.09 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.473 2.115 . . . . 0.0 111.059 173.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -86.9 3.64 44.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.51 126.55 13.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.047 0.451 . . . . 0.0 110.72 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 30' ' ' ALA . 90.0 mt -126.86 140.24 52.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -119.02 168.78 10.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.38 120.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.56 60.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.308 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -89.45 142.67 27.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.792 0.329 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 31.1 m -108.99 123.78 49.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.039 0.447 . . . . 0.0 110.654 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HB3' HD22 ' A' ' 24' ' ' LEU . . . -95.36 128.27 42.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' CD ' ' HD2' ' A' ' 82' ' ' ARG . 37.0 tt0 -89.61 104.5 17.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.058 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.684 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 55.1 mt -89.96 102.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.8 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 55.7 mtt180 -85.41 119.61 25.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.189 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.69 134.22 55.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.056 -173.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -123.56 114.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.168 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.4 tt -75.77 124.19 26.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.122 0.487 . . . . 0.0 110.586 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -102.65 111.19 23.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.229 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' HD3' ' OE2' ' A' ' 79' ' ' GLU . 16.2 ptt180 -122.69 140.23 53.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.71 0.29 . . . . 0.0 110.979 -178.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.41 ' OD1' ' HB3' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -103.73 -23.21 13.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 167.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.05 107.07 1.05 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.197 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 41' ' ' ARG . 17.4 ttm-85 -79.18 79.67 5.59 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.209 0.528 . . . . 0.0 110.489 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -117.38 156.15 28.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.6 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -81.07 73.91 8.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.631 0.253 . . . . 0.0 111.042 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 51.98 79.23 0.11 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.843 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 t -86.84 144.04 27.19 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 171.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.9 130.16 36.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.061 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' HB2' HD12 ' A' ' 76' ' ' LEU . 10.7 m-85 -97.51 160.84 14.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.576 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -120.02 135.99 54.72 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.861 0.363 . . . . 0.0 110.4 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.418 ' HB ' HD21 ' A' ' 76' ' ' LEU . 20.3 tt -104.95 137.09 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.211 0.529 . . . . 0.0 110.401 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 1.128 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 29.7 tpt180 -128.4 149.84 50.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.002 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HE2' HD13 ' A' ' 68' ' ' LEU . 61.2 m-85 -136.69 158.33 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.942 0.401 . . . . 0.0 111.742 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.512 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 91.6 t80 -151.58 130.24 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.258 175.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.77 106.82 12.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.431 0.634 . . . . 0.0 111.837 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.27 -32.34 2.41 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.888 2.392 . . . . 0.0 112.331 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.73 126.46 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.802 ' HA3' ' HG2' ' A' ' 93' ' ' GLN . . . 141.35 169.04 11.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.394 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.62 125.79 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.88 163.35 36.78 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.568 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.491 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 40.0 m -112.57 112.55 24.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.509 HD22 ' CZ ' ' A' ' 51' ' ' TYR . 64.9 tp -111.87 123.6 50.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.456 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HG2' HG22 ' A' ' 67' ' ' VAL . 56.1 mtmt -134.88 156.0 49.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.189 0.519 . . . . 0.0 110.808 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.5 ttm -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.6 t -58.77 -24.99 62.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 111.518 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.43 1.37 25.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.359 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.42 11.96 70.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.64 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.0 m -88.11 118.05 27.42 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 122.912 -0.17 . . . . 0.0 110.597 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG22 ' HG2' ' A' ' 61' ' ' LYS . 85.1 t -67.96 131.18 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.519 HD13 ' HE2' ' A' ' 51' ' ' TYR . 70.3 mt -106.72 108.84 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -173.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 89.5 mt -104.8 146.61 32.97 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.459 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 8.1 Cg_exo -73.87 12.0 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.19 2.594 . . . . 0.0 112.622 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -92.39 -30.91 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.01 177.13 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 111.459 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 50' ' ' ARG . 18.6 mt -108.78 136.47 48.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.568 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.2 m-85 -116.4 128.15 26.21 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.459 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 13.5 Cg_exo -69.44 128.17 15.92 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.8 2.333 . . . . 0.0 111.934 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.455 HD12 ' HB2' ' A' ' 47' ' ' TYR . 95.6 mt -79.49 118.27 71.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.595 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -81.27 6.76 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.914 2.409 . . . . 0.0 112.278 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.03 165.33 38.06 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.314 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 38.3 mt-10 -106.6 -23.77 12.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -103.62 99.6 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -140.53 173.52 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 111.69 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.422 ' HD2' ' CD ' ' A' ' 31' ' ' GLU . 85.7 mtm180 -130.02 133.99 47.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.454 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.684 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.4 mt -106.05 125.76 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.933 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -105.22 111.1 23.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.2 0.524 . . . . 0.0 111.177 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -114.49 111.94 22.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.904 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 38.8 m -86.01 111.3 20.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 p -74.31 114.76 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 110.706 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.37 21.07 16.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.301 0.572 . . . . 0.0 110.43 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.4 m -115.69 145.83 42.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.56 -16.53 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.522 . . . . 0.0 110.317 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -116.06 -166.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.97 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 3.8 pt20 -63.12 152.41 37.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.128 0.489 . . . . 0.0 111.653 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.802 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 0.1 OUTLIER -145.75 118.55 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.13 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.0 m -102.35 121.78 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.992 0.425 . . . . 0.0 111.416 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.0 t -111.0 112.8 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.856 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 7.0 t70 -91.91 111.48 23.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.45 129.33 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.637 -171.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 1.128 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 68.4 m-85 -113.98 130.3 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.156 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.516 ' CG ' HG13 ' A' ' 15' ' ' ILE . 97.4 m-85 -113.42 111.65 22.31 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -115.56 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 0.0 111.42 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.33 164.7 14.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.052 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -62.45 -31.79 72.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -79.49 -24.83 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.57 0.224 . . . . 0.0 110.622 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 122.16 12.6 5.22 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.486 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.588 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 6.7 tp60 -75.75 119.69 20.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.572 HD13 ' HB3' ' A' ' 98' ' ' TYR . 45.0 tp -117.04 125.85 51.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.028 -173.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -109.94 128.67 55.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.184 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -108.19 116.91 32.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.453 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 109.22 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.685 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.2 m -97.03 117.59 31.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.397 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.477 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.0 m-85 -103.82 117.84 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 p -118.37 108.22 14.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.1 0.476 . . . . 0.0 110.285 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 92.2 m-85 -87.26 96.92 10.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -133.69 -72.81 0.49 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.482 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -140.59 -26.97 0.74 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -93.51 123.28 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.4 t -117.93 115.18 24.39 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.5 m 70.04 91.14 0.09 Allowed 'General case' 0 CA--C 1.531 0.239 0 O-C-N 124.044 0.84 . . . . 0.0 111.562 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.9 tptp -80.92 104.63 11.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.207 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -157.76 142.51 16.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -103.06 23.83 11.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.993 0.425 . . . . 0.0 110.286 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 68.16 -85.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.96 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.0 tp 57.9 39.27 26.88 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.262 0.553 . . . . 0.0 109.908 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 74.51 153.27 0.14 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.591 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -93.17 -141.18 0.21 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.554 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -73.5 76.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 0.0 110.79 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 179.85 71.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -67.64 -52.57 36.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.107 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -162.58 -45.84 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.6 m80 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.33 173.182 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.834 0.35 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -126.22 16.99 7.78 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -77.37 -43.38 33.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.411 -175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.08 118.35 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.169 0.918 . . . . 0.0 112.206 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t 69.05 -81.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.195 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -179.78 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.4 pt -128.19 160.63 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.645 176.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -97.34 98.59 10.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.978 0.418 . . . . 0.0 110.506 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -114.4 -3.59 13.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.319 0.58 . . . . 0.0 109.501 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -99.27 113.21 25.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.481 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -143.91 116.07 5.67 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.175 0.512 . . . . 0.0 110.823 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -96.01 -175.42 0.31 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.602 2.868 . . . . 0.0 111.419 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -98.62 138.29 36.02 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.62 -0.432 . . . . 0.0 109.914 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -96.73 112.92 24.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.772 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 HD12 ' HG3' ' A' ' 107' ' ' GLN . 55.1 mt -108.92 110.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 152.96 26.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.404 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.1 p -119.41 139.27 52.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.202 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 96.5 mmm -75.59 126.01 87.91 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.81 126.58 13.02 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.813 3.009 . . . . 0.0 113.923 -171.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.36 158.78 54.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.245 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -68.41 146.93 70.22 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.316 2.011 . . . . 0.0 112.024 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -84.61 -27.23 27.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 0.0 109.951 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -107.0 122.88 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.251 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.11 107.64 14.74 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.638 0.732 . . . . 0.0 111.269 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 50.5 tptt -68.43 148.79 50.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.605 176.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.95 111.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.83 4.1 48.79 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.512 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 8.6 tp10 -82.46 151.34 26.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -114.79 111.29 21.01 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.47 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 85' ' ' TYR . . . -82.77 97.63 8.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.517 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -79.62 109.63 14.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.643 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 32.1 mt -106.46 99.12 7.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -88.78 118.49 28.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.98 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.4 m -116.38 145.06 43.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.754 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 53.1 tt0 -136.11 127.24 28.01 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.195 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -94.87 123.45 38.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.187 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -101.79 112.84 25.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.52 ' NH1' ' HA ' ' A' ' 43' ' ' GLU . 6.3 ptp85 -107.09 130.93 54.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 176.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.87 -20.56 28.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.137 0.494 . . . . 0.0 109.937 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.92 121.2 6.52 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.575 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -77.98 84.27 4.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.988 0.423 . . . . 0.0 111.389 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -163.55 121.74 1.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.562 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 11.9 pt-20 -98.49 -9.08 25.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.328 . . . . 0.0 111.45 -176.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -83.0 66.12 8.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.456 0.646 . . . . 0.0 110.738 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.1 m -152.56 120.06 6.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.762 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -90.5 137.24 32.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.674 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.686 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 47.7 m-85 -100.99 161.37 13.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' HB3' HD12 ' A' ' 73' ' ' LEU . 96.3 m-85 -131.54 143.87 50.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.705 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.417 ' HB ' HD22 ' A' ' 76' ' ' LEU . 13.5 tt -122.38 136.05 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.042 0.448 . . . . 0.0 110.673 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -150.05 117.33 6.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.696 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.0 p90 -108.06 147.97 30.43 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.936 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -117.06 126.36 52.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HB2' ' HE2' ' A' ' 51' ' ' TYR . 59.6 tt0 -126.94 79.19 73.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 -175.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.56 -15.15 7.55 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.558 2.172 . . . . 0.0 112.114 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.83 100.76 4.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.221 -171.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.669 ' HA3' ' HG3' ' A' ' 93' ' ' GLN . . . 136.41 -178.97 18.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.871 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.43 -174.73 3.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.63 -163.57 12.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.421 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.7 m -147.64 131.82 17.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.22 0.208 . . . . 0.0 110.474 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.5 tp -112.7 124.53 52.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.524 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -120.75 155.81 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.6 ttm -94.64 165.91 12.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.583 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 11.9 p -54.92 -28.02 47.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.43 5.0 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.265 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.37 0.86 86.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.117 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -72.71 118.18 15.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.484 0.183 . . . . 0.0 110.812 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.15 130.95 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.81 149.59 21.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 95.4 mt -122.07 148.72 52.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.405 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.0 Cg_exo -65.4 128.48 20.38 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.84 2.36 . . . . 0.0 112.577 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 67.33 14.25 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.738 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.13 126.57 52.37 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 48' ' ' PHE . 20.9 tp -88.72 112.49 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.148 0.499 . . . . 0.0 111.266 -172.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -106.93 149.95 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.29 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.42 149.94 19.31 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.255 1.97 . . . . 0.0 112.621 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.686 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.9 mt -99.04 122.33 52.8 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.084 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.18 6.02 5.87 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.998 2.465 . . . . 0.0 113.544 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.97 179.25 48.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.386 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.583 ' O ' ' HA ' ' A' ' 35' ' ' GLN . 25.7 mt-10 -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.171 0.51 . . . . 0.0 109.949 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 34.7 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.197 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -71.77 151.38 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.345 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -120.62 136.09 54.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.45 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.9 mt -104.17 140.4 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.663 0.268 . . . . 0.0 110.644 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.583 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 66.3 m-85 -110.65 101.53 10.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.452 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 69.0 t80 -96.83 128.1 43.46 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.571 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.7 m -106.8 125.6 51.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.798 0.332 . . . . 0.0 110.771 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -99.01 133.76 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.71 10.11 10.92 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 t -164.63 -172.58 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.528 ' HA ' ' ND2' ' A' ' 114' ' ' ASN . 14.8 t -130.2 7.39 5.02 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.732 ' HB3' ' HB3' ' A' ' 116' ' ' ASP . 1.5 t70 -82.41 177.31 8.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.617 -0.677 . . . . 0.0 111.315 -176.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -75.7 127.53 33.24 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.882 0.373 . . . . 0.0 111.52 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.669 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 6.9 tt0 -129.59 146.8 51.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.371 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -128.7 114.52 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.253 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.1 t -120.13 128.39 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.746 0.307 . . . . 0.0 111.396 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.3 111.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.6 t -104.16 116.39 47.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.433 ' HD2' HD12 ' A' ' 106' ' ' LEU . 86.5 m-85 -103.03 125.19 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 61.8 m-85 -109.5 111.76 23.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 171.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.77 146.28 39.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -172.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -114.35 178.84 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.608 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -71.5 -18.95 62.26 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.426 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 87.5 t80 -79.51 -20.52 47.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 0.0 110.31 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.4 1.18 43.94 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.572 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -78.1 114.42 16.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.433 HD12 ' HD2' ' A' ' 98' ' ' TYR . 3.4 pp -117.72 139.29 51.24 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.207 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.47 ' HG3' HD12 ' A' ' 15' ' ' ILE . 14.9 mm100 -109.2 109.55 20.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -95.96 116.15 28.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.659 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.5 mt -105.22 120.18 40.89 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.439 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.2 m -92.84 114.97 27.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.073 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -109.75 119.46 39.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.2 t -92.51 107.78 19.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -105.54 163.22 12.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.331 0.586 . . . . 0.0 111.639 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.528 ' ND2' ' HA ' ' A' ' 90' ' ' THR . 7.9 t30 -102.77 82.64 2.15 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.506 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 34.3 t30 179.21 101.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.796 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.732 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 13.6 t70 -155.97 153.77 30.08 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.8 m 65.85 92.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.712 0.633 . . . . 0.0 110.948 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -103.27 144.9 30.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.489 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -77.43 114.9 16.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.841 0.353 . . . . 0.0 110.754 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -88.11 54.07 2.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.622 0.725 . . . . 0.0 109.269 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -84.95 20.99 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.664 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -84.52 178.79 7.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.325 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 126' ' ' HIS . 98.8 mt -64.11 129.48 40.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.111 175.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.64 -47.55 83.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.091 0.472 . . . . 0.0 110.491 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.636 ' HB3' ' HE1' ' A' ' 128' ' ' HIS . 85.9 m-70 -87.05 57.52 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.512 0.672 . . . . 0.0 109.875 176.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 123' ' ' LEU . 49.4 t-80 -77.47 156.27 31.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.295 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 79.9 t60 72.26 65.04 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.62 0.724 . . . . 0.0 110.731 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.636 ' HE1' ' HB3' ' A' ' 125' ' ' HIS . 8.3 m80 -109.67 174.08 6.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.378 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -81.0 152.95 27.7 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.918 0.39 . . . . 0.0 110.504 -176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.349 177.642 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.66 0.267 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 3' ' ' ASP . 52.1 t-20 -81.48 103.61 11.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.275 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 2' ' ' ASN . 16.8 t70 73.56 -45.87 0.62 Allowed 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.855 0.722 . . . . 0.0 111.508 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -98.89 131.04 45.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.366 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.2 p 41.05 83.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 122.346 1.069 . . . . 0.0 112.242 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.93 -158.42 0.55 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.088 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.409 ' O ' HG13 ' A' ' 7' ' ' ILE . 11.4 tp -104.17 -0.09 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 120.966 0.413 . . . . 0.0 111.927 -171.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -73.19 115.36 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.998 0.428 . . . . 0.0 110.512 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.49 133.63 45.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.659 -177.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.1 p -123.92 -77.9 0.6 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.335 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CD1' ' HG3' ' A' ' 41' ' ' ARG . 36.1 m-85 -78.97 -47.37 1.68 Allowed Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.418 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 62.0 Cg_exo -41.95 118.12 0.87 Allowed 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 122.903 2.402 . . . . 0.0 113.465 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.9 139.14 50.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.255 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.5 t -119.5 128.04 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.006 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 36' ' ' LEU . 54.8 mt -92.34 119.98 40.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -94.52 141.87 28.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -125.53 141.48 52.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.905 0.383 . . . . 0.0 111.295 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.464 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.1 mpt? -77.78 130.68 72.63 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.716 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -59.18 144.04 99.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.207 2.605 . . . . 0.0 112.863 -175.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.31 155.28 63.29 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.446 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.83 151.29 74.19 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.423 2.082 . . . . 0.0 111.307 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -89.2 9.83 24.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.913 0.387 . . . . 0.0 110.007 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -135.91 111.91 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD23 ' HB3' ' A' ' 30' ' ' ALA . 32.2 mt -133.83 131.31 39.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.286 0.565 . . . . 0.0 111.299 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 4.6 ttmp? -92.41 153.84 18.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.083 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.24 123.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.65 66.14 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.726 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 29.5 tt0 -94.16 154.75 17.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -113.42 142.28 46.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -125.8 119.24 27.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.937 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 9.4 pt-20 -81.74 103.84 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.794 0.807 . . . . 0.0 111.072 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -84.05 99.51 6.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.278 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 28.1 mtp180 -76.07 133.76 40.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.247 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 m -130.47 127.39 39.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.909 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.486 ' HG3' HG23 ' A' ' 80' ' ' THR . 48.4 tt0 -127.26 112.55 15.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.082 0.468 . . . . 0.0 110.364 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . 8.0 tt -78.89 124.5 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.795 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -75.57 113.32 12.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.193 0.52 . . . . 0.0 109.929 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -100.47 117.64 35.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.362 -171.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' OD2' ' HG2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -86.51 -47.81 8.93 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.684 -178.376 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.14 -1.23 4.53 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.637 -0.792 . . . . 0.0 114.018 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 9.5 mmm180 -83.82 102.97 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.53 0.665 . . . . 0.0 110.411 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.549 ' CE2' ' HD1' ' A' ' 103' ' ' PHE . 24.3 p90 36.6 58.35 1.07 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 122.337 1.065 . . . . 0.0 111.802 -172.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.94 -5.81 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.783 -1.553 . . . . 0.0 112.53 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -84.19 16.02 3.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 0.0 110.893 -175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 t -73.23 153.68 40.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.755 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -87.16 131.15 34.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 10.9 m-85 -103.05 130.0 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.457 ' HB3' HD12 ' A' ' 73' ' ' LEU . 95.9 m-85 -119.85 148.32 43.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.93 0.395 . . . . 0.0 111.319 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.426 ' HB ' HD21 ' A' ' 76' ' ' LEU . 11.0 tt -121.07 138.08 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -155.07 112.81 3.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.459 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -110.4 161.44 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.297 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -130.36 136.39 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.298 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.615 HE21 ' HB3' ' A' ' 55' ' ' ASP . 52.4 tt0 -124.63 111.63 27.67 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.279 -178.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.581 ' HD2' ' O ' ' A' ' 94' ' ' THR . 39.3 Cg_exo -61.95 -31.69 84.48 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.498 2.132 . . . . 0.0 111.448 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.615 ' HB3' HE21 ' A' ' 53' ' ' GLN . 19.3 t70 -71.86 160.55 32.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.673 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -111.11 8.12 29.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.276 -0.964 . . . . 0.0 114.133 -172.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.69 104.41 4.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.951 0.876 . . . . 0.0 112.222 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.3 154.92 15.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 m -140.36 112.52 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.564 0.682 . . . . 0.0 111.47 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.2 tp -98.4 126.29 43.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -116.59 153.5 32.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.04 0.447 . . . . 0.0 110.62 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.5 ttm -88.29 160.34 17.7 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.645 ' HB3' ' HG3' ' A' ' 82' ' ' ARG . 3.2 p -48.87 -34.0 11.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.13 -23.35 62.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.374 . . . . 0.0 111.521 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.82 -6.08 25.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.781 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.8 m -64.23 120.05 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.099 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.6 t -76.97 125.68 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.5 mt -95.24 126.41 40.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -94.52 146.05 30.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 26.3 Cg_endo -62.98 140.81 81.18 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.38 2.054 . . . . 0.0 111.864 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 12.7 m120 73.6 -5.79 1.92 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.622 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.83 156.99 16.35 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 48' ' ' PHE . 28.3 tp -111.71 125.9 54.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.067 0.461 . . . . 0.0 110.999 -173.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.4 m-85 -125.77 144.83 49.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.277 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.8 Cg_exo -82.03 142.16 12.2 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.829 2.353 . . . . 0.0 112.063 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.426 HD21 ' HB ' ' A' ' 49' ' ' ILE . 96.9 mt -83.66 142.96 43.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.26 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.1 -8.39 22.76 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.8 2.333 . . . . 0.0 113.481 -175.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.01 34.81 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.97 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.59 -38.86 87.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.371 . . . . 0.0 111.119 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.486 HG23 ' HG3' ' A' ' 35' ' ' GLN . 11.5 p -107.08 116.5 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -155.07 -174.22 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.645 ' HG3' ' HB3' ' A' ' 63' ' ' SER . 3.3 ptp85 -147.82 144.89 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.948 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -110.78 119.54 39.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.075 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.547 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 82.1 m-85 -87.33 97.62 10.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.85 0.357 . . . . 0.0 110.195 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -80.67 123.84 28.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.298 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.2 m -98.84 110.13 22.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.157 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -72.8 110.17 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.198 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.03 -16.68 24.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.1 m -136.76 143.02 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.644 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.8 m -105.37 -2.05 24.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -69.27 176.62 3.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.986 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.608 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . 34.3 tt0 -75.02 102.3 4.79 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.454 0.645 . . . . 0.0 110.382 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 112' ' ' SER . 18.1 pt20 -117.15 148.39 41.62 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.259 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.581 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 28.3 m -124.73 118.83 27.31 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.003 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.64 123.68 72.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.035 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -109.54 111.28 22.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.2 t -103.34 122.26 55.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -100.99 125.15 47.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.929 0.395 . . . . 0.0 110.429 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 90.2 m-85 -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 29.0 pt20 -131.73 143.09 50.0 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.447 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -133.7 172.19 13.11 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.466 -178.072 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -75.65 -11.52 60.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.75 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.549 ' HD1' ' CE2' ' A' ' 42' ' ' PHE . 53.0 t80 -78.38 -24.18 46.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.118 0.485 . . . . 0.0 109.805 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.46 6.83 12.82 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.986 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 6.1 tt0 -70.8 135.05 47.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 99' ' ' PHE . 54.3 tp -146.03 114.3 6.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.72 129.08 47.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.239 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.51 113.64 27.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.254 0.549 . . . . 0.0 110.014 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.2 mt -103.93 109.29 20.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.355 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -103.43 113.69 27.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.203 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -119.85 128.69 53.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 110.989 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 7.8 p -122.71 141.18 52.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.579 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 80.6 m-85 -113.0 164.78 13.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.608 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . 22.5 t-20 77.4 127.25 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.36 1.038 . . . . 0.0 112.419 173.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -143.56 39.33 1.4 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -130.01 141.89 50.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.866 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.4 m 63.63 -177.49 0.16 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.326 0.584 . . . . 0.0 111.694 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' A' ' 121' ' ' GLU . 42.1 m -146.92 -74.38 0.21 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.514 174.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 119' ' ' LYS . 32.3 ttmt 66.71 10.33 7.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.902 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 59.16 72.65 0.52 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.491 0.663 . . . . 0.0 109.263 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 118' ' ' SER . 1.5 mp0 -56.51 124.31 17.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.645 -1.162 . . . . 0.0 112.201 -171.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.75 112.26 25.16 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 171.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.9 mp -84.14 110.18 18.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.998 0.427 . . . . 0.0 110.087 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -86.25 101.91 13.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.598 0.713 . . . . 0.0 111.167 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -145.45 25.08 1.37 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -94.96 -79.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.172 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 54.6 -167.66 0.08 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.47 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -132.78 155.45 48.89 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -88.87 29.29 1.04 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.508 0.194 . . . . 0.0 110.769 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 46.1 m80 . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.236 -175.289 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 1' ' ' MET . 18.6 ptp . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.899 0.38 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 3' ' ' ASP . 3.5 p-10 -161.3 -168.44 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.352 -0.218 . . . . 0.0 111.195 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 46.0 m-20 80.01 -70.29 0.09 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.213 1.005 . . . . 0.0 110.681 -178.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 57.1 -96.49 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.578 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 m -139.38 -0.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.125 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -97.58 124.89 42.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.295 0.569 . . . . 0.0 111.704 -172.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.8 mt -132.89 -56.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.267 -0.878 . . . . 0.0 108.94 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -173.53 -50.48 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.557 -1.201 . . . . 0.0 107.917 173.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.632 ' HG3' HE22 ' A' ' 105' ' ' GLN . 0.4 OUTLIER -70.1 -53.3 17.99 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.692 174.359 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.8 m 58.9 11.63 1.98 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.335 170.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 50.36 81.94 0.25 Allowed Pre-proline 0 N--CA 1.467 0.393 0 C-N-CA 123.1 0.56 . . . . 0.0 111.28 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.17 11.88 2.48 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.869 2.379 . . . . 0.0 113.469 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -119.4 139.47 51.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.839 0.352 . . . . 0.0 110.131 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p -119.22 133.79 55.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 110.956 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.9 mt -102.98 115.49 45.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.049 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -85.73 115.58 23.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.843 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.6 p -108.25 121.85 45.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.665 0.269 . . . . 0.0 110.975 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.24 135.04 94.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.512 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.12 116.1 2.81 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.067 2.511 . . . . 0.0 112.421 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -79.74 162.79 61.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.985 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.16 125.82 15.93 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.202 1.935 . . . . 0.0 111.211 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.59 -27.06 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.019 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -103.51 113.05 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.835 0.35 . . . . 0.0 110.229 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.1 mt -132.05 152.94 50.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.105 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.86 166.09 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.86 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.57 111.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.02 -10.26 24.98 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.165 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 86' ' ' THR . 65.2 mm-40 -83.93 141.46 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.529 0.204 . . . . 0.0 110.542 178.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.3 m -113.9 123.18 49.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.27 126.59 52.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.432 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -86.1 99.55 11.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.5 mt -88.25 99.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.633 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.6 ttt180 -86.54 123.54 31.85 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.968 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 30.6 m -116.93 126.39 52.88 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -110.92 112.32 24.07 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 115.76 21.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -82.42 118.86 23.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.137 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.567 ' HD3' ' OH ' ' A' ' 47' ' ' TYR . 20.9 mtm180 -102.6 135.79 43.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.106 0.479 . . . . 0.0 111.881 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.96 -23.79 67.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.418 170.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.14 -146.88 18.36 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 67.96 -66.16 0.23 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.227 0.611 . . . . 0.0 112.409 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -88.39 101.37 13.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.853 0.359 . . . . 0.0 110.627 -176.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -81.58 98.93 8.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.011 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 51.45 73.39 0.31 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.356 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 t -99.96 -169.64 1.77 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.973 -177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -83.53 107.08 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.978 0.418 . . . . 0.0 110.836 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.837 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 67.5 m-85 -98.45 145.12 27.07 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 173.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.627 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 60.5 m-85 -121.67 135.27 54.97 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.652 0.263 . . . . 0.0 111.111 -174.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.86 135.02 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.304 0.573 . . . . 0.0 111.297 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' HD2' HD13 ' A' ' 73' ' ' LEU . 2.9 ptm180 -153.18 137.9 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 172.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.3 p90 -111.8 144.43 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.504 -176.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -120.63 144.42 48.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -133.13 103.24 12.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.84 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.9 Cg_exo -59.55 -47.16 17.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.957 1.772 . . . . 0.0 110.318 173.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.41 122.69 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.988 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.433 ' HA3' ' HB2' ' A' ' 93' ' ' GLN . . . 148.67 174.1 20.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.539 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.5 127.55 4.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 111.248 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.517 ' HA3' ' CE1' ' A' ' 85' ' ' TYR . . . -169.9 165.98 39.27 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.822 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 33.7 m -103.81 111.6 24.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 83' ' ' LEU . 42.6 tp -106.43 119.2 38.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.391 . . . . 0.0 110.416 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.63 145.38 43.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.181 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.4 ttp -83.91 157.78 21.83 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -47.37 -31.61 4.15 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.77 -12.02 59.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.866 0.365 . . . . 0.0 111.0 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.57 -7.75 30.13 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -66.68 119.85 12.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.899 0.381 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.7 t -73.49 121.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.427 HD12 ' HG ' ' A' ' 60' ' ' LEU . 70.8 mt -89.68 117.58 28.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.347 -175.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.26 147.23 40.02 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.011 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 -5.36 13.59 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.925 2.416 . . . . 0.0 112.26 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -75.06 -29.76 60.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -127.05 173.42 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.628 0.727 . . . . 0.0 112.014 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.512 HD21 ' HB3' ' A' ' 48' ' ' PHE . 6.5 tt -127.41 132.61 50.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.195 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 98.8 m-85 -118.43 150.59 48.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.423 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.561 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 7.7 Cg_endo -89.1 132.64 2.31 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.411 2.741 . . . . 0.0 112.963 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.837 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 93.4 mt -80.68 127.68 74.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.317 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.83 -36.52 2.04 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.695 2.263 . . . . 0.0 114.042 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.69 176.94 22.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.236 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 2.9 mp0 -68.26 -37.26 80.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.211 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.0 t -97.81 93.06 6.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 110.42 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 17.5 p90 -112.88 131.61 55.65 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.36 0.6 . . . . 0.0 110.068 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' HG2' ' HG3' ' A' ' 33' ' ' ARG . 53.4 mtm-85 -110.47 125.64 53.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 60' ' ' LEU . 80.1 mt -102.19 115.35 30.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -90.0 100.72 13.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.045 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.517 ' CE1' ' HA3' ' A' ' 58' ' ' GLY . 84.6 t80 -99.47 110.36 22.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.004 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 45.6 m -92.6 113.91 26.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.315 172.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.8 m -65.34 135.68 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.909 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -124.74 6.8 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -139.79 168.24 20.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.353 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -125.89 -23.54 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.23 165.72 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -56.34 111.98 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.441 0.463 . . . . 0.0 111.16 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.433 ' HB2' ' HA3' ' A' ' 56' ' ' GLY . 23.3 pt20 -119.36 151.08 39.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.248 0.547 . . . . 0.0 110.945 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.46 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 61.4 m -130.7 116.62 18.29 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.26 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -116.67 107.34 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.329 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 11.5 p-10 -103.44 113.28 26.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.7 0.762 . . . . 0.0 110.523 177.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 40.5 t -94.41 135.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.637 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.51 ' HB3' HD13 ' A' ' 106' ' ' LEU . 27.8 m-85 -104.51 121.16 42.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.68 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -109.87 126.32 53.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.929 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.627 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 9.7 tt0 -122.72 154.63 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -125.4 178.26 5.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.894 0.378 . . . . 0.0 111.031 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.8 m -77.54 -7.66 56.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.621 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.22 -14.31 44.29 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.28 14.8 29.58 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.052 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.632 HE22 ' HG3' ' A' ' 9' ' ' GLN . 15.0 mm-40 -86.42 144.23 27.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 100' ' ' GLN . 31.5 tp -136.53 115.78 12.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.78 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -125.77 124.69 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.984 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 3.3 pt20 -105.3 142.45 35.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.491 . . . . 0.0 110.892 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.7 mt -120.54 118.5 30.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.551 176.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 12.1 m -95.05 116.06 28.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.171 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -109.33 119.66 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 57.7 p -92.65 117.83 30.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -109.65 143.37 39.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 39.44 49.86 1.97 Allowed 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.506 1.129 . . . . 0.0 113.073 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.506 ' HB3' ' O ' ' A' ' 118' ' ' SER . 3.3 m-20 -72.78 -20.5 61.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 176.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.7 t70 62.84 -92.24 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.422 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.8 m -121.09 1.38 10.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.012 0.434 . . . . 0.0 110.757 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.506 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 35.0 m -91.48 96.65 10.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.107 0.48 . . . . 0.0 110.256 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.567 ' HD3' ' H ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -113.36 25.6 11.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.399 0.619 . . . . 0.0 109.91 179.657 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.43 132.24 45.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.883 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.49 60.47 3.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.479 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 59.13 97.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.434 ' H ' HD23 ' A' ' 123' ' ' LEU . 3.1 mm? -56.17 -61.11 2.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.794 -177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -86.77 65.92 9.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -54.43 108.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.51 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -127.84 -24.95 3.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.442 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -95.64 85.06 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -132.05 5.03 4.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -165.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.4 p80 46.03 -159.94 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.532 0.52 . . . . 0.0 111.632 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.663 173.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.581 ' HB2' ' OD2' ' A' ' 3' ' ' ASP . 22.7 mmt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -19.36 52.75 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.219 0.533 . . . . 0.0 110.87 176.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.581 ' OD2' ' HB2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -62.7 -19.34 63.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.085 172.552 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.4 t70 66.9 110.56 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.159 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -96.23 113.63 31.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -91.82 -153.78 0.34 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.582 -175.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -62.75 -30.2 48.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.051 0.453 . . . . 0.0 110.117 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -64.86 129.6 40.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.343 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -96.08 165.88 12.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.014 0.435 . . . . 0.0 111.16 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -101.53 -3.34 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.891 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 60.23 85.15 0.19 Allowed Pre-proline 0 C--N 1.333 -0.116 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.109 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -89.18 150.97 5.61 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.952 2.435 . . . . 0.0 111.939 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.54 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 97.8 m-85 -85.26 138.68 32.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.298 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 t -150.14 170.54 18.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.392 -176.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.541 HG12 ' HA ' ' A' ' 36' ' ' LEU . 35.1 mt -132.44 133.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.998 0.427 . . . . 0.0 110.787 -175.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.32 150.98 22.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' SG ' ' A' ' 34' ' ' CYS . 19.6 p -130.69 157.44 42.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.847 0.356 . . . . 0.0 111.416 -174.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 65.3 mtt -94.04 124.4 56.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 57.3 Cg_exo -53.35 135.98 61.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.383 2.722 . . . . 0.0 113.649 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG13 HG12 ' A' ' 32' ' ' ILE . 35.5 m -95.63 165.86 15.77 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.106 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -61.18 151.95 75.26 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.762 2.308 . . . . 0.0 111.583 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.528 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -97.13 -17.26 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.749 -176.601 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.708 ' HE3' ' HB3' ' A' ' 114' ' ' ASN . 29.1 mmtp -137.44 118.71 14.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 176.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.503 HD21 ' HG3' ' A' ' 28' ' ' GLU . 5.1 mp -125.08 169.12 12.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.35 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -90.94 161.04 15.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.031 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.29 112.69 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.72 -8.99 25.83 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.503 ' HG3' HD21 ' A' ' 24' ' ' LEU . 12.4 tp10 -82.51 143.94 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -124.95 121.43 34.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.034 0.445 . . . . 0.0 110.902 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' A' ' 24' ' ' LEU . . . -96.1 126.85 41.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.404 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.93 101.98 14.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 0.0 110.623 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.513 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 23.4 mt -83.52 98.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -83.12 120.23 25.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' A' ' 17' ' ' THR . 31.9 m -117.65 134.47 54.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.946 -172.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.461 ' OE1' HG22 ' A' ' 80' ' ' THR . 15.2 mm100 -122.86 121.5 36.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HA ' HG12 ' A' ' 15' ' ' ILE . 1.1 tp -82.36 138.57 34.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.407 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 83.6 t60 -90.66 102.96 15.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.865 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.54 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 23.3 tpp180 -119.58 106.65 12.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.51 -177.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -91.73 -63.67 1.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HD2' ' A' ' 38' ' ' ARG . . . -68.0 103.72 1.04 Allowed Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -74.94 132.18 41.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.082 0.468 . . . . 0.0 111.048 -175.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -144.53 -55.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.683 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 73.38 -34.13 0.28 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.874 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.54 -27.52 69.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.411 0.624 . . . . 0.0 109.429 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m -61.98 113.99 3.13 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.373 172.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.37 142.1 28.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.438 0.637 . . . . 0.0 111.858 -169.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.671 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 25.5 m-85 -98.63 128.21 44.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.303 -177.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.516 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 97.6 m-85 -119.64 123.44 43.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.97 0.414 . . . . 0.0 110.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.8 tt -109.74 139.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.66 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' HB2' HD21 ' A' ' 73' ' ' LEU . 15.8 ttp180 -154.46 134.71 13.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.301 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -108.19 150.42 27.28 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.97 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -105.15 132.45 51.36 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' NE2' ' HB1' ' A' ' 57' ' ' ALA . 5.8 tp60 -117.89 83.03 17.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.68 -175.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -83.82 -16.17 6.67 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.588 2.192 . . . . 0.0 111.92 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -118.27 160.62 21.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.417 -171.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.37 77.49 2.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.154 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.53 ' HA ' ' HG2' ' A' ' 93' ' ' GLN . . . -106.15 -159.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.463 0.173 . . . . 0.0 111.036 -178.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.73 -146.59 18.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.488 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 m -105.08 141.07 37.3 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.235 0.214 . . . . 0.0 111.068 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -117.12 117.88 30.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -113.67 152.63 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.566 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.1 mtp -86.81 163.65 17.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.992 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 t -53.6 -28.04 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 110.999 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.97 -14.21 61.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.46 6.98 69.97 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -172.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.5 m -80.76 130.49 35.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.573 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.1 t -85.07 127.64 39.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 0.0 110.176 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.5 mt -86.43 142.72 28.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.569 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -113.35 133.53 22.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.21 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.02 62.3 8.48 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.695 2.263 . . . . 0.0 113.196 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -155.59 -51.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.169 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.17 175.44 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 48' ' ' PHE . 93.2 mt -101.68 129.35 47.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 111.629 -174.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 37.7 m-85 -105.76 132.59 20.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.573 176.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 14.1 Cg_exo -69.98 129.84 18.06 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 111.929 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.671 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 78.7 mt -71.91 143.91 87.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.294 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.87 -15.42 50.31 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.849 2.366 . . . . 0.0 112.293 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.49 -147.36 9.82 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.087 -0.578 . . . . 0.0 111.785 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -121.17 -5.57 9.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.523 . . . . 0.0 110.526 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.461 HG22 ' OE1' ' A' ' 35' ' ' GLN . 51.7 m -120.96 103.99 9.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 169.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -152.99 172.73 16.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 111.632 -173.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.07 145.83 48.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.024 177.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.513 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.8 mt -114.55 118.4 33.64 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -94.8 104.58 16.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.119 0.485 . . . . 0.0 110.971 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.455 ' OH ' ' HB3' ' A' ' 57' ' ' ALA . 88.5 t80 -94.11 112.19 23.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.2 m -92.11 111.62 23.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.092 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.6 t -66.88 109.35 2.89 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.65 11.28 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.948 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -122.24 142.29 50.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.176 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 p -86.82 -21.47 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.642 0.734 . . . . 0.0 109.571 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -86.37 172.57 10.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.912 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.59 144.19 52.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.53 ' HG2' ' HA ' ' A' ' 57' ' ' ALA . 47.3 mt-30 -121.2 123.77 43.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.995 0.426 . . . . 0.0 111.149 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 m -122.87 120.27 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.216 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.37 128.07 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.58 0.229 . . . . 0.0 111.112 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -102.43 112.36 25.05 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.389 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.37 123.31 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.732 0.301 . . . . 0.0 110.772 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.41 127.52 54.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -110.24 116.73 32.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -113.35 130.71 56.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.07 0.462 . . . . 0.0 111.101 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 12.1 t70 -109.28 143.78 38.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.318 177.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 p -74.44 -4.34 36.03 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -79.51 -9.87 59.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.519 0.676 . . . . 0.0 109.742 174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.66 23.95 6.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.186 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 16.1 mm100 -103.82 140.8 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.763 0.316 . . . . 0.0 110.444 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -140.86 115.93 9.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -113.75 133.53 55.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.82 125.02 48.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.018 0.437 . . . . 0.0 110.638 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.6 mt -117.9 111.52 19.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.093 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 m -91.75 119.52 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.308 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.18 117.95 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.929 0.395 . . . . 0.0 110.072 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 m -124.45 118.5 26.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -78.89 175.79 10.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.447 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.708 ' HB3' ' HE3' ' A' ' 23' ' ' LYS . 3.0 t-20 -51.26 107.16 0.16 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.283 -176.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -112.77 127.81 56.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.261 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -114.45 9.88 16.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.217 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.2 m 71.19 130.3 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 O-C-N 124.03 0.831 . . . . 0.0 111.702 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.1 t -174.04 -52.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.865 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -84.23 107.31 16.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.651 0.739 . . . . 0.0 112.689 -171.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.4 46.33 2.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 169.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -121.1 -178.12 3.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.169 -171.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -82.44 135.41 35.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.971 -177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.0 mp -93.28 -165.53 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.149 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 125' ' ' HIS . 0.5 OUTLIER -77.36 168.12 20.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.053 0.454 . . . . 0.0 111.275 -178.086 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.419 ' H ' ' CD ' ' A' ' 124' ' ' GLU . 52.0 m80 -69.92 -62.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.088 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -140.2 84.21 1.95 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.918 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -84.25 70.59 10.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.467 0.651 . . . . 0.0 111.051 -173.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -179.35 98.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.962 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 44.8 t60 64.0 99.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.541 0.686 . . . . 0.0 111.8 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.3 t60 . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.425 175.002 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 121.044 0.45 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -131.66 -74.87 0.52 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.36 -144.72 0.21 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.78 177.17 3.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.0 p -95.6 5.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.704 0.764 . . . . 0.0 109.825 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.39 83.35 1.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.45 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' O ' HG12 ' A' ' 7' ' ' ILE . 14.2 tt -151.27 15.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.011 0.91 . . . . 0.0 109.014 175.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -105.7 -11.84 16.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.028 -173.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.49 175.11 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.761 0.315 . . . . 0.0 110.687 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 t -64.86 137.78 57.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.005 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -75.77 140.36 70.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.728 176.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.63 -49.63 5.33 Favored 'Trans proline' 0 CA--C 1.517 -0.351 0 C-N-CA 122.34 2.027 . . . . 0.0 111.636 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' HD1' ' HA ' ' A' ' 38' ' ' ARG . 92.6 m-85 -141.99 153.36 44.22 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.333 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.9 t -116.72 135.26 53.91 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.7 mt -111.83 125.98 69.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 110.628 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.05 135.85 44.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.92 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.452 HG23 ' SG ' ' A' ' 34' ' ' CYS . 17.1 p -125.04 138.47 54.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.956 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.458 ' SD ' ' HB2' ' A' ' 33' ' ' ARG . 1.3 mpt? -77.75 134.3 65.24 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 177.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 35.3 Cg_exo -60.82 159.87 27.34 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.267 2.645 . . . . 0.0 113.105 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 m -115.98 165.55 14.45 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.909 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.77 147.17 74.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.603 2.202 . . . . 0.0 112.096 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -80.08 2.18 24.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.636 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -141.93 123.27 14.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.0 mt -136.9 115.7 12.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.375 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -109.49 -179.87 3.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.522 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 89' ' ' SER . 23.3 t -64.8 121.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.05 0.452 . . . . 0.0 111.177 -175.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.15 -3.69 51.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.536 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.98 145.18 24.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.785 0.326 . . . . 0.0 110.401 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -117.1 115.74 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.57 116.51 28.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.192 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -87.22 100.62 12.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.208 0.528 . . . . 0.0 110.153 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -95.04 99.76 9.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.488 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HB2' ' SD ' ' A' ' 18' ' ' MET . 67.4 mtt180 -82.01 124.19 29.57 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.741 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' SG ' HG23 ' A' ' 17' ' ' THR . 39.2 m -117.79 126.38 52.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.33 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.432 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 33.3 tt0 -131.17 113.53 13.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.178 0.513 . . . . 0.0 111.057 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -83.58 116.71 22.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -84.83 109.7 18.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.987 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HG3' ' CG ' ' A' ' 79' ' ' GLU . 5.8 mmm180 -83.99 119.98 25.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.998 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.54 -41.28 97.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.063 0.459 . . . . 0.0 109.875 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -148.38 -118.03 0.96 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.536 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -130.18 -63.46 0.9 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.48 0.181 . . . . 0.0 111.19 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.8 t80 65.67 -81.26 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.112 0 O-C-N 123.972 0.795 . . . . 0.0 109.53 -167.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -154.24 -170.1 3.44 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.04 66.4 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 0.0 109.722 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -60.8 114.68 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.594 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -82.5 117.12 22.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.339 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB2' HD13 ' A' ' 76' ' ' LEU . 33.5 m-85 -98.16 134.57 41.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' HB3' HD11 ' A' ' 73' ' ' LEU . 94.6 m-85 -115.4 140.63 48.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -177.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.456 HG12 ' CE2' ' A' ' 51' ' ' TYR . 14.5 tt -115.92 129.77 71.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -135.88 134.28 38.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.67 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -127.47 105.76 8.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.826 0.346 . . . . 0.0 110.647 -169.325 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.6 116.02 28.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -104.43 103.49 39.65 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.1 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.95 -46.46 19.34 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.595 2.197 . . . . 0.0 111.587 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -154.82 120.79 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.829 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.24 169.79 30.31 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.674 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.16 98.29 3.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.07 173.23 29.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.74 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.7 m -125.16 113.35 17.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.839 0.352 . . . . 0.0 110.247 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.798 ' HG ' HD12 ' A' ' 68' ' ' LEU . 50.1 tp -104.44 119.68 39.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 0.0 110.365 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 47.9 mtmt -124.61 149.77 46.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.412 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.6 ttm -85.0 153.27 22.86 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.556 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 5.5 p -53.27 -28.1 26.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 112.033 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.65 19.12 5.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.94 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.37 -1.04 88.64 Favored Glycine 0 C--N 1.334 0.457 0 CA-C-N 115.679 -0.692 . . . . 0.0 113.502 172.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 m -74.45 116.84 15.59 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.716 -0.284 . . . . 0.0 110.916 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.514 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.6 t -78.07 118.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 109.806 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.798 HD12 ' HG ' ' A' ' 60' ' ' LEU . 56.1 mt -92.07 117.86 30.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.702 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 94.6 mt -105.35 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.249 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 71.5 Cg_exo -52.47 -40.71 71.06 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 123.435 2.757 . . . . 0.0 113.952 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -92.26 16.05 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.382 0.61 . . . . 0.0 110.719 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.75 173.26 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.94 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 48' ' ' PHE . 48.5 tp -137.53 122.61 19.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.668 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.465 ' HD2' ' OH ' ' A' ' 51' ' ' TYR . 82.7 m-85 -120.37 141.25 31.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.669 0.271 . . . . 0.0 111.247 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.37 141.27 15.86 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.615 2.21 . . . . 0.0 111.38 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -74.93 144.54 79.79 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 22.4 Cg_exo -65.55 -35.96 35.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.03 2.487 . . . . 0.0 112.314 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.38 -155.69 13.78 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.501 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.486 ' CG ' ' HG3' ' A' ' 38' ' ' ARG . 2.2 mp0 -64.32 -49.33 72.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.727 0.298 . . . . 0.0 111.525 -178.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.432 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 12.9 t -112.31 137.71 50.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 0.0 110.887 -175.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -154.98 169.3 24.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.971 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.556 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 0.2 OUTLIER -128.2 132.02 48.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -176.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' A' ' 60' ' ' LEU . 81.6 mt -109.11 122.22 46.82 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -97.62 103.21 15.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -88.19 101.94 14.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.751 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 m -89.08 110.61 21.31 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.702 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 m -73.39 108.15 6.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.489 . . . . 0.0 110.751 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.63 6.4 47.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.484 0.659 . . . . 0.0 109.77 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.421 ' HA ' HG23 ' A' ' 26' ' ' VAL . 45.8 t -155.51 159.32 39.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.24 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.6 t -118.57 9.67 12.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.329 0.585 . . . . 0.0 109.771 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -83.09 -167.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.165 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.547 ' HG2' ' HB2' ' A' ' 114' ' ' ASN . 9.8 tm0? -73.29 115.43 12.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.625 ' HG3' ' HB2' ' A' ' 113' ' ' PHE . 9.7 pt20 -131.72 115.44 16.02 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.455 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 m -114.0 125.03 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.778 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -128.81 116.53 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.406 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.8 111.25 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.21 112.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.157 0.503 . . . . 0.0 110.441 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -101.52 129.58 47.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.402 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.84 112.61 24.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.438 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 9.4 pt20 -109.02 128.95 55.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.576 0.703 . . . . 0.0 110.94 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -83.45 168.38 16.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.76 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 t -74.59 -18.38 60.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -79.31 -14.41 59.02 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.743 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.68 4.65 52.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.69 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.25 122.64 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.72 116.49 29.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -175.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -110.53 146.31 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 136.4 45.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.929 0.395 . . . . 0.0 111.465 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.8 mt -128.87 112.52 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 m -92.49 119.01 31.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.975 0.417 . . . . 0.0 111.066 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.68 118.82 37.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.902 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 m -122.49 111.87 17.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.85 0.357 . . . . 0.0 110.491 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.625 ' HB2' ' HG3' ' A' ' 93' ' ' GLN . 76.9 m-85 -110.22 125.96 53.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.547 ' HB2' ' HG2' ' A' ' 92' ' ' GLN . 53.9 t30 -154.98 98.86 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.855 0.36 . . . . 0.0 110.548 174.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -121.35 123.41 42.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.31 0.576 . . . . 0.0 110.211 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.55 123.88 19.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.187 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.404 ' C ' ' HG ' ' A' ' 118' ' ' SER . 19.8 m -138.61 176.74 8.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.837 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' A' ' 117' ' ' SER . 41.0 p 55.32 25.3 7.35 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.117 0.967 . . . . 0.0 112.905 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -91.52 90.09 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.641 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 52.65 48.32 22.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.341 173.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -74.94 -28.97 60.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.077 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 68.61 -72.22 0.1 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.348 1.03 . . . . 0.0 112.165 172.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.67 131.7 49.77 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.47 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.92 111.66 2.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.426 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -107.59 120.5 42.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.525 -171.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -105.92 140.22 39.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.346 -175.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -158.48 17.8 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.118 0.485 . . . . 0.0 110.763 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -151.88 85.82 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.527 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -171.69 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.77 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 C--O 1.245 0.825 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -176.894 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -119.6 139.38 52.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.768 0.318 . . . . 0.0 110.627 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.55 -27.3 51.48 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 170.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.7 t70 69.02 -93.65 0.03 OUTLIER 'General case' 0 C--O 1.234 0.278 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.117 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t 40.38 70.18 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.879 0.737 . . . . 0.0 111.509 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -99.1 109.2 21.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.148 0.499 . . . . 0.0 110.555 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.0 tt -125.75 -32.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.933 177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 67.73 -58.98 0.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.552 0.741 . . . . 0.0 112.496 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -100.3 96.4 7.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.135 0.493 . . . . 0.0 111.262 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.2 t -106.84 -171.38 1.88 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -133.7 98.07 15.14 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.815 0.341 . . . . 0.0 111.117 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.02 137.68 73.48 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.996 2.464 . . . . 0.0 111.358 176.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 26.2 m-85 -90.43 138.34 31.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -174.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -99.22 132.53 44.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.766 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -110.93 111.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 0.0 110.371 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -101.91 116.16 32.1 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.745 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.3 p -92.36 136.77 32.93 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.401 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.9 mtt -68.98 135.62 89.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.9 107.77 0.17 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.251 2.634 . . . . 0.0 113.185 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.37 155.11 76.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.915 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.78 131.26 28.63 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.705 2.27 . . . . 0.0 111.899 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -85.32 6.55 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.61 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.756 ' HD2' ' HA ' ' A' ' 114' ' ' ASN . 14.0 mmmm -144.08 124.96 14.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.361 176.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.598 ' HG ' ' HB2' ' A' ' 28' ' ' GLU . 6.9 tp -146.82 129.83 16.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.648 0.261 . . . . 0.0 110.522 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HB2' ' HG3' ' A' ' 28' ' ' GLU . 67.5 mttm -78.63 167.35 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.291 0.567 . . . . 0.0 111.466 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 88' ' ' ALA . 47.4 t -68.44 118.1 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.041 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.48 -19.52 28.86 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.563 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.598 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . 25.8 mt-10 -73.12 139.84 46.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.4 . . . . 0.0 110.257 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -116.99 117.52 29.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.524 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.9 126.2 52.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.379 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -85.56 103.41 14.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.462 0.648 . . . . 0.0 110.573 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.68 99.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.517 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -83.36 116.31 22.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.325 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.66 131.06 55.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.099 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -111.23 111.05 21.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.354 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 10.6 tt -97.07 121.43 38.94 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -85.26 101.01 12.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ttp180 -93.75 105.97 17.97 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -105.63 -35.04 7.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.987 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.64 107.17 3.0 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.723 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.428 ' H ' ' HG2' ' A' ' 41' ' ' ARG . 2.7 ptt180 -56.34 118.29 4.62 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 171.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.803 ' HB2' ' HB ' ' A' ' 45' ' ' THR . 54.6 p90 -111.29 156.42 21.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.311 -167.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -116.69 -67.18 1.01 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.637 172.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 -16.29 24.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.193 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.803 ' HB ' ' HB2' ' A' ' 42' ' ' PHE . 25.0 m -69.23 78.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.845 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -104.54 152.97 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.589 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 12.4 m-85 -98.9 135.87 39.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.052 -171.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -123.74 142.72 50.82 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.875 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.679 HD11 ' HE1' ' A' ' 51' ' ' TYR . 17.6 tt -109.45 129.39 64.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.441 0.639 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.791 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 23.9 tpt180 -125.33 140.66 52.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.322 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.679 ' HE1' HD11 ' A' ' 49' ' ' ILE . 3.5 m-85 -131.09 148.76 52.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.827 0.346 . . . . 0.0 111.16 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -141.14 125.8 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.188 173.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -121.32 102.41 42.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.092 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.672 ' HD2' ' O ' ' A' ' 94' ' ' THR . 50.2 Cg_exo -54.69 -34.4 83.72 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.889 2.392 . . . . 0.0 111.809 173.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.704 ' HB3' ' HG3' ' A' ' 93' ' ' GLN . 31.3 t70 -86.18 -81.56 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.86 -4.05 32.09 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.869 170.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.22 97.7 8.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 110.879 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.96 172.01 33.72 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.468 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -124.69 121.86 35.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.7 tp -123.17 123.38 40.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.692 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -128.27 146.32 50.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.113 0.483 . . . . 0.0 110.831 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.8 ttm -75.17 162.32 28.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.238 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.3 t -51.07 -31.45 18.94 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -87.97 6.35 36.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.679 0.275 . . . . 0.0 111.71 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.26 -16.82 60.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.803 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -58.68 115.28 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.658 0.266 . . . . 0.0 111.017 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.42 133.18 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.794 0.33 . . . . 0.0 110.184 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD12 HD21 ' A' ' 83' ' ' LEU . 79.3 mt -101.5 101.9 12.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.592 -177.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.5 mt -105.14 142.9 25.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.983 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.92 26.94 0.33 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.264 2.643 . . . . 0.0 113.467 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -111.24 -50.96 2.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -101.1 175.07 5.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.314 0.578 . . . . 0.0 111.74 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.3 tp -111.97 134.3 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.78 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 88.8 m-85 -123.48 144.75 44.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.649 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.4 Cg_exo -80.29 144.22 16.18 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.983 2.455 . . . . 0.0 112.509 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.8 mt -86.02 147.83 46.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.993 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.75 -51.8 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.111 2.541 . . . . 0.0 112.855 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.48 -141.14 3.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' HA ' ' HB3' ' A' ' 36' ' ' LEU . 3.3 mp0 -72.63 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.963 0.411 . . . . 0.0 111.357 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -105.98 125.2 50.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.653 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -146.74 156.95 43.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.557 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -117.65 140.89 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.662 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.467 HD21 HD12 ' A' ' 68' ' ' LEU . 52.0 mt -120.41 119.09 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.653 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -87.42 109.12 19.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 0.0 111.268 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 87' ' ' SER . 68.0 t80 -99.98 105.93 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.12 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.2 m -94.05 107.93 19.81 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.333 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.492 ' HB2' HD21 ' A' ' 24' ' ' LEU . 18.6 t -79.66 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 -176.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.541 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -120.53 13.01 11.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.435 0.636 . . . . 0.0 109.393 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.46 ' HB2' HE21 ' A' ' 93' ' ' GLN . 6.7 t -87.0 143.85 27.16 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.007 -177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -89.6 -13.76 36.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.427 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -147.56 -160.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -59.42 114.01 2.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.152 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.704 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 7.3 tt0 -106.45 123.2 47.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.405 174.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.672 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 14.0 m -88.61 120.37 29.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.149 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.51 106.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.721 0.296 . . . . 0.0 110.47 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.41 111.2 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.185 0.517 . . . . 0.0 110.16 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 51' ' ' TYR . 18.5 t -100.86 134.49 40.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.209 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.791 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 78.6 m-85 -123.88 119.78 30.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.187 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -109.27 112.39 24.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 3.2 pt20 -121.01 161.68 21.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.833 0.349 . . . . 0.0 110.769 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.517 ' OD2' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -141.91 162.42 35.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 179.374 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.2 t -71.54 -18.86 62.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.663 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -79.24 -24.29 43.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.999 0.428 . . . . 0.0 110.304 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.41 13.9 5.09 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.346 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 5.7 tp-100 -80.2 134.92 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.016 0.408 . . . . 0.0 110.055 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 100' ' ' GLN . 65.8 tp -141.97 116.43 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.051 0.453 . . . . 0.0 110.114 176.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -108.77 115.89 30.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.498 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.98 110.92 23.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.1 mt -119.18 125.34 48.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.951 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.2 m -112.71 119.6 38.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.0 140.53 45.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.349 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 t -113.6 108.94 17.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.123 0.487 . . . . 0.0 110.537 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -90.85 132.39 35.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.756 ' HA ' ' HD2' ' A' ' 23' ' ' LYS . 6.1 m-20 63.82 60.9 1.01 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -171.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -55.96 158.03 4.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.945 -172.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.16 -49.36 32.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.943 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.416 ' HB3' ' HG2' ' A' ' 120' ' ' GLU . 15.9 t -144.34 -173.17 3.95 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.937 -175.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.8 m -59.19 -47.95 83.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.631 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -159.53 95.37 1.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.598 -176.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.416 ' HG2' ' HB3' ' A' ' 117' ' ' SER . 9.2 pt-20 -162.7 32.68 0.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.25 0.548 . . . . 0.0 110.973 174.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -75.57 -12.15 60.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.834 0.826 . . . . 0.0 109.683 176.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -89.59 24.75 2.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.174 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.0 mt -110.05 133.77 52.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.703 0.287 . . . . 0.0 111.519 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.43 93.1 3.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 170.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 69.91 119.55 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 O-C-N 123.861 0.726 . . . . 0.0 109.609 -169.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -55.46 106.37 0.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.108 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -116.58 2.01 12.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.454 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -100.09 144.28 29.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.904 -1.043 . . . . 0.0 108.943 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 41.0 t60 65.12 93.84 0.06 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.382 0.611 . . . . 0.0 111.014 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.1 p80 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.084 176.762 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.96 0.409 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -136.26 8.96 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.207 0.527 . . . . 0.0 110.269 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -91.93 83.72 5.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.278 -171.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -178.71 177.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.0 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.1 -37.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 10.7 p-10 -112.07 -26.26 8.94 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.59 -174.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 6' ' ' ASP . 69.8 mt 72.72 146.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 O-C-N 123.44 0.462 . . . . 0.0 110.092 -178.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -55.02 161.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 112.088 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -71.46 2.84 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.667 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 m -75.08 61.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.058 0.456 . . . . 0.0 110.721 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -87.92 117.81 68.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.93 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.25 152.63 39.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.549 2.166 . . . . 0.0 112.733 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.53 ' HD1' ' HG2' ' A' ' 105' ' ' GLN . 76.1 m-85 -80.87 179.2 7.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.579 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.483 ' HB3' ' CG ' ' A' ' 37' ' ' HIS . 12.6 t -141.03 110.1 6.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.943 0.401 . . . . 0.0 110.24 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 15' ' ' ILE . 3.1 mp -108.43 106.23 20.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -101.22 155.17 18.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.644 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 p -118.79 162.49 18.38 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.931 0.396 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ptm -86.38 141.28 34.48 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -45.72 115.3 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.17 2.58 . . . . 0.0 112.905 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.15 151.77 52.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 167.51 24.13 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.651 2.234 . . . . 0.0 111.598 175.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -108.17 9.58 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.649 0.261 . . . . 0.0 111.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -164.11 158.08 18.87 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.696 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD23 ' HB2' ' A' ' 30' ' ' ALA . 95.1 mt -142.73 169.11 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.451 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -123.99 165.51 17.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.766 0.317 . . . . 0.0 110.797 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.89 112.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.39 0.31 58.21 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.963 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 86' ' ' THR . 9.0 tp10 -84.97 141.43 30.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.2 m -117.44 114.63 23.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.9 0.381 . . . . 0.0 110.679 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB2' HD23 ' A' ' 24' ' ' LEU . . . -82.78 125.19 31.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.353 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' OE2' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -94.3 101.51 13.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.779 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -104.27 99.23 8.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -92.33 126.59 37.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.456 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.5 m -114.66 141.31 47.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.186 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.61 112.89 21.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.538 HD22 ' HG3' ' A' ' 79' ' ' GLU . 5.0 tp -83.59 120.3 25.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.931 176.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.483 ' CG ' ' HB3' ' A' ' 14' ' ' SER . 18.3 m170 -78.06 103.44 7.99 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 109.912 175.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' NH2' ' HG2' ' A' ' 44' ' ' GLU . 35.0 ttt180 -138.29 106.72 5.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.327 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.16 -59.53 2.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.25 175.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.8 -64.33 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.775 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? 62.14 -95.5 0.05 Allowed 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -170.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -175.88 123.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 61.0 -176.88 0.11 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.596 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG2' ' NH2' ' A' ' 38' ' ' ARG . 27.4 mt-10 -103.53 79.21 1.66 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 t -68.1 147.27 52.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.079 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -82.34 124.38 29.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -174.062 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.29 143.57 28.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -124.47 153.96 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 0.0 111.831 -173.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 98' ' ' TYR . 13.8 tt -134.09 139.16 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.225 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -139.64 161.86 36.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.547 ' CE2' HD11 ' A' ' 68' ' ' LEU . 81.8 m-85 -134.22 165.45 25.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.444 0.64 . . . . 0.0 112.304 -174.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.428 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 71.7 t80 -154.35 110.72 3.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 108.45 169.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 19.7 pt20 -138.04 119.84 10.68 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 121.083 0.468 . . . . 0.0 111.147 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 16.7 Cg_exo -71.23 -22.14 25.99 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 123.459 2.772 . . . . 0.0 112.728 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.524 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 2.9 p-10 -68.9 124.11 22.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.36 0.6 . . . . 0.0 110.471 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.23 -22.89 9.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.325 -175.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.455 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . -95.38 87.19 4.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.373 0.587 . . . . 0.0 110.673 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.87 179.84 43.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.604 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -149.24 134.6 18.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.189 0.494 . . . . 0.0 110.609 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.6 tp -121.38 122.67 40.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.403 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -121.08 157.45 30.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.021 0.439 . . . . 0.0 110.724 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 63' ' ' SER . 43.7 ttm -90.32 168.89 11.55 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 171.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.79 ' HB3' ' HG2' ' A' ' 82' ' ' ARG . 2.7 p -54.91 -23.31 18.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.23 -19.75 56.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.068 0.461 . . . . 0.0 111.194 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.45 -6.31 52.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.393 -174.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -61.72 121.14 12.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.976 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.44 117.05 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.547 HD11 ' CE2' ' A' ' 51' ' ' TYR . 39.0 mt -86.85 108.42 18.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.83 -173.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.9 mt -105.46 130.06 23.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.485 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.7 92.56 0.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.38 2.053 . . . . 0.0 112.015 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.49 -60.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.345 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.7 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.759 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.3 tp -111.77 120.28 41.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -172.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -101.07 150.83 37.41 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.405 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -88.03 167.63 6.8 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.772 2.315 . . . . 0.0 112.586 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.3 mt -98.92 136.0 20.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.418 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -81.38 -0.15 10.31 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.753 2.302 . . . . 0.0 113.066 -177.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.01 -161.62 31.21 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.198 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG3' HD22 ' A' ' 36' ' ' LEU . 3.7 mp0 -88.81 -44.34 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.976 0.417 . . . . 0.0 111.289 -177.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -93.31 46.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -82.04 167.65 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.123 0.487 . . . . 0.0 111.132 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.79 ' HG2' ' HB3' ' A' ' 63' ' ' SER . 8.8 ptp85 -144.43 159.0 43.47 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -126.8 127.69 45.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.95 111.71 24.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.617 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.61 113.23 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.955 0.407 . . . . 0.0 110.84 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 23.0 m -97.55 118.67 34.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.837 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -87.81 138.68 31.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.382 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.64 10.22 13.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 111.025 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.455 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 34.0 m -117.02 177.44 4.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -67.52 -46.15 73.68 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.075 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -163.86 75.98 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 164.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.524 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 21.3 tp60 -111.02 104.1 12.63 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.353 175.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.493 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 52.1 tt0 -150.21 120.96 7.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.116 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -141.34 103.3 4.39 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.3 t -127.33 120.2 54.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.497 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' HB2' ' HB3' ' A' ' 52' ' ' PHE . 13.6 m-20 -87.5 110.84 20.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 169.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.05 122.26 52.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.0 0.429 . . . . 0.0 110.394 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 34.2 m-85 -107.73 113.9 27.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.053 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.66 111.99 24.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HB3' HD13 ' A' ' 106' ' ' LEU . 29.0 pt20 -125.27 140.88 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.969 0.89 . . . . 0.0 112.082 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.808 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -94.64 158.43 15.53 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.729 174.091 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.2 p -57.52 -27.07 62.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -93.37 -2.99 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.153 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.56 24.16 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.544 174.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.808 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 8.1 tp-100 -74.52 104.39 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 100' ' ' GLN . 55.5 tp -116.87 124.43 49.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.881 0.372 . . . . 0.0 111.661 -174.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 107' ' ' GLN . 21.4 mt-30 -110.82 110.07 20.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.521 171.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.96 117.09 29.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.4 mt -111.99 116.12 30.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.041 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.2 m -99.89 115.2 29.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.458 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.536 ' HB3' ' HE1' ' A' ' 113' ' ' PHE . 86.2 m-85 -114.5 118.11 32.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 6.5 m -124.09 112.12 16.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.536 ' HE1' ' HB3' ' A' ' 111' ' ' PHE . 1.6 m-85 -89.41 111.46 22.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.946 -176.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.8 t30 69.4 173.89 0.29 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 123.981 0.8 . . . . 0.0 110.464 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.579 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 5.9 p-10 -90.31 -160.74 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 13.2 m-20 83.07 17.52 0.28 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.754 0.822 . . . . 0.0 111.35 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.8 t -86.94 103.83 15.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.59 ' HB3' ' HB2' ' A' ' 121' ' ' GLU . 56.8 m -68.13 119.35 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.922 -174.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -82.28 -54.81 4.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.431 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 122' ' ' GLU . 6.3 mm-40 -86.75 -26.69 24.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.171 -172.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.59 ' HB2' ' HB3' ' A' ' 118' ' ' SER . 6.9 mm-40 -83.13 37.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.403 0.621 . . . . 0.0 110.055 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 120' ' ' GLU . 31.3 tt0 -61.85 -56.85 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.788 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.6 mt -88.54 122.05 31.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.509 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.9 127.72 33.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -63.87 110.84 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.677 -171.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 74.54 -51.37 0.68 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.737 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 71.53 -59.49 0.55 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.564 0.746 . . . . 0.0 111.535 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -164.34 137.62 5.12 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.21 -35.73 72.1 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.656 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 . . . . . 0 C--O 1.241 0.651 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 172.106 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.446 0.165 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -85.02 -46.06 11.54 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.918 0.389 . . . . 0.0 110.049 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -86.14 124.96 33.13 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 172.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.2 t70 70.32 96.93 0.07 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.807 0.692 . . . . 0.0 110.047 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -78.53 169.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.81 -174.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -63.14 144.44 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.849 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 tt -150.97 -13.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.206 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -72.9 0.57 10.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -173.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 65.35 7.64 4.4 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 170.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 t -145.29 150.69 37.1 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -123.26 93.83 47.54 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.377 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.1 118.48 5.57 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.53 2.153 . . . . 0.0 110.853 176.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -63.81 139.01 58.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.204 0.526 . . . . 0.0 111.095 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.9 m -92.02 121.41 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.187 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.11 113.67 44.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.575 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -118.74 143.81 46.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.387 0.613 . . . . 0.0 111.272 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.3 p -114.94 141.58 47.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.5 mmt -72.95 154.41 90.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.577 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 147.64 46.15 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.211 2.608 . . . . 0.0 112.976 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -124.57 158.72 60.94 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -57.08 133.91 60.91 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.296 1.997 . . . . 0.0 111.306 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.32 -26.77 67.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.463 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -143.66 146.61 33.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 87' ' ' SER . 86.3 mt -121.38 163.76 18.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.356 -176.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -124.22 176.36 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.653 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.22 115.85 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.07 -16.33 30.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.76 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -71.78 124.96 25.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.421 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -99.82 105.66 17.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.852 0.358 . . . . 0.0 110.221 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.83 106.08 17.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.808 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.03 115.44 23.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 0.0 110.268 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.7 mt -103.09 100.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.382 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.1 ttt180 -69.0 114.26 7.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.62 127.38 53.6 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.34 113.03 13.27 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.225 0.536 . . . . 0.0 110.53 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -91.21 120.75 32.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.687 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -79.25 99.31 7.0 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.706 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -106.41 135.95 47.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.041 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -92.52 158.1 16.19 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.62 57.6 2.53 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.474 -0.393 . . . . 0.0 112.712 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 41' ' ' ARG . 10.3 ttt180 -136.92 97.41 3.51 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -109.34 106.18 15.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -166.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -122.07 73.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 168.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.483 ' HB3' ' HE3' ' A' ' 46' ' ' LYS . 1.0 OUTLIER 47.88 50.48 15.59 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.266 -177.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.59 89.45 3.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.265 0.555 . . . . 0.0 110.007 174.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HE3' ' HB3' ' A' ' 44' ' ' GLU . 87.6 mttt -99.77 128.28 45.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.126 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.44 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 69.0 m-85 -107.37 127.84 53.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -174.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -119.57 122.42 41.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.747 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.876 HG22 ' HH ' ' A' ' 51' ' ' TYR . 7.6 tt -107.77 128.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 0.0 110.637 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -113.42 157.92 21.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.876 ' HH ' HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -134.13 145.09 48.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.103 -174.629 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -142.24 126.77 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.838 174.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -126.67 107.79 22.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 94' ' ' THR . 27.5 Cg_exo -62.77 -39.6 41.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 111.21 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -83.78 -68.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.391 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.0 8.66 64.64 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-N 115.277 -0.874 . . . . 0.0 114.003 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.92 87.23 5.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.503 0.652 . . . . 0.0 110.732 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.49 150.59 6.31 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.558 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.472 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 26.7 m -98.31 113.97 26.1 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.597 ' HG ' HD12 ' A' ' 68' ' ' LEU . 52.0 tp -102.02 121.36 42.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.385 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 67' ' ' VAL . 47.4 mtmt -131.6 157.34 43.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.128 0.49 . . . . 0.0 111.792 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.401 ' HE1' HD22 ' A' ' 68' ' ' LEU . 43.2 ttm -95.65 166.74 11.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.169 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -57.88 -30.25 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.62 7.75 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.622 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.79 -7.38 82.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.246 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -61.71 117.08 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 122.357 0.263 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 61' ' ' LYS . 64.2 t -78.28 124.35 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.597 HD12 ' HG ' ' A' ' 60' ' ' LEU . 55.6 mt -91.15 104.57 17.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.197 -172.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -91.31 129.44 43.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.397 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.481 ' O ' ' HB3' ' A' ' 71' ' ' ASN . 32.1 Cg_exo -60.31 177.02 0.64 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.208 2.605 . . . . 0.0 113.015 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 70' ' ' PRO . 20.6 t-20 75.42 -54.57 0.64 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.483 0.713 . . . . 0.0 111.159 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.51 161.33 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -129.25 118.82 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.517 . . . . 0.0 110.329 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -94.73 151.4 39.07 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.719 -174.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 43.9 Cg_endo -70.31 140.19 40.05 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.356 2.037 . . . . 0.0 111.652 174.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.1 mt -84.36 143.28 41.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.426 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.36 -40.49 24.69 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.766 2.311 . . . . 0.0 112.252 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.92 -147.68 9.17 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.713 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -71.06 -57.75 4.23 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.804 0.442 . . . . 0.0 111.403 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.0 p -100.6 117.51 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.106 0.479 . . . . 0.0 111.789 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -143.57 160.31 40.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.114 175.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.474 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 6.8 mmm180 -111.69 125.54 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -175.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.14 113.95 27.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 176.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -101.15 105.43 16.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -97.93 110.7 23.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.361 0.6 . . . . 0.0 110.075 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.472 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 8.9 m -86.7 101.42 13.27 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.19 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.491 ' HB2' HD13 ' A' ' 24' ' ' LEU . 22.9 t -69.86 127.06 31.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.745 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.84 15.16 16.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.248 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 m -134.44 146.95 50.3 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.665 -175.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -110.44 -5.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.879 0.847 . . . . 0.0 109.044 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -88.26 -165.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.33 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -66.72 113.87 5.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.989 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -120.63 111.74 18.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 32.2 m -107.45 127.1 53.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.0 t -123.25 117.09 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.045 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -98.19 116.35 30.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.175 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -108.44 122.46 62.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -108.93 124.85 51.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.842 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.84 114.45 28.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -107.63 119.24 38.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 4.9 t70 -103.61 164.1 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.782 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.6 t -73.81 -16.76 61.14 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.41 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 62.3 m-85 -84.2 6.0 24.3 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.032 -0.418 . . . . 0.0 110.96 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.54 0.39 69.82 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.879 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 6.2 tp-100 -73.42 126.38 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 0.0 110.639 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.1 tp -126.36 115.27 19.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -110.15 111.33 22.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.357 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -99.43 112.36 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.275 0.559 . . . . 0.0 110.293 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.8 mt -101.48 113.08 25.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.451 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -97.92 113.99 25.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.973 0.416 . . . . 0.0 110.519 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -108.95 118.55 37.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -120.01 115.51 23.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -99.16 108.24 20.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.233 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -158.67 150.17 20.86 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -82.61 -1.04 49.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.842 -171.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.95 -10.01 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.834 0.35 . . . . 0.0 110.35 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.8 t -59.1 -34.6 72.2 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.968 -177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 p -136.04 113.55 10.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -127.84 144.15 51.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.632 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.84 30.39 18.23 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.537 0.523 . . . . 0.0 110.692 -175.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.552 ' HG3' ' H ' ' A' ' 122' ' ' GLU . 8.2 tp10 -125.68 179.23 5.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.552 ' H ' ' HG3' ' A' ' 121' ' ' GLU . 44.0 mt-10 69.52 75.46 0.23 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 110.537 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.9 tp -125.37 -35.13 2.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.075 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.63 ' HB3' ' HB2' ' A' ' 128' ' ' HIS . 26.4 mm-40 63.95 99.12 0.04 OUTLIER 'General case' 0 C--O 1.232 0.183 0 O-C-N 123.937 0.773 . . . . 0.0 110.998 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -51.79 126.25 17.39 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.347 -175.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 54.4 48.34 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.346 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 72.46 -11.18 0.84 Allowed 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.578 172.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.63 ' HB2' ' HB3' ' A' ' 124' ' ' GLU . 20.5 t60 53.7 75.97 0.24 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.256 0.551 . . . . 0.0 109.648 -170.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -131.26 140.86 49.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.108 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.309 177.173 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -141.47 140.03 33.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.9 49.0 18.72 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.417 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -86.1 -177.94 6.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -86.6 145.57 7.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.152 0.501 . . . . 0.0 111.191 -175.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' A' ' 7' ' ' ILE . 19.6 t70 -97.35 -153.01 0.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.561 ' H ' ' CG ' ' A' ' 6' ' ' ASP . 64.3 mt -79.12 100.94 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.974 0.416 . . . . 0.0 109.981 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -104.02 -42.3 5.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.3 0.571 . . . . 0.0 110.086 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -115.19 100.16 7.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.979 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 m -84.65 2.3 42.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -139.35 96.89 8.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.096 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -91.3 -164.16 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.025 2.484 . . . . 0.0 111.135 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -99.6 136.53 39.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.5 m -128.62 130.91 47.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.066 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.619 HG13 HE22 ' A' ' 107' ' ' GLN . 53.5 mt -112.88 121.07 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.534 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.45 126.64 37.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.384 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.578 HG23 ' HZ ' ' A' ' 111' ' ' PHE . 19.3 p -103.59 125.35 50.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.359 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.453 ' CG ' ' HB3' ' A' ' 33' ' ' ARG . 23.8 mmt -59.6 145.06 83.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.121 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -46.87 116.74 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.711 2.94 . . . . 0.0 113.098 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG13 HG12 ' A' ' 32' ' ' ILE . 31.7 m -80.62 144.16 56.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.6 140.33 68.05 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.808 2.339 . . . . 0.0 112.278 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 114' ' ' ASN . 0.5 OUTLIER -91.22 -17.09 26.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -119.45 115.91 25.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.832 0.348 . . . . 0.0 110.141 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -122.49 145.35 48.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.5 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HA ' HG22 ' A' ' 90' ' ' THR . 5.6 mptt -116.14 167.87 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.4 116.69 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.66 -0.53 59.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.688 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.02 145.68 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m -116.66 114.51 24.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.547 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 103.06 15.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.944 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.9 100.27 4.77 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.503 HG12 HG13 ' A' ' 20' ' ' VAL . 39.0 mt -91.52 98.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.073 176.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' HB3' ' CG ' ' A' ' 18' ' ' MET . 23.9 ttt180 -83.4 114.19 21.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' HG22 ' A' ' 17' ' ' THR . 36.6 m -106.98 127.1 53.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.468 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.739 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 33.7 tt0 -124.58 112.4 16.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.175 0.512 . . . . 0.0 110.843 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.425 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.6 tt -81.44 120.08 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.213 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -90.78 100.82 13.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.704 ' HE ' ' HG2' ' A' ' 79' ' ' GLU . 13.7 ptt180 -117.18 105.66 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.645 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -76.21 -44.95 35.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 171.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.09 114.38 6.34 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.049 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.455 ' HD3' ' HA ' ' A' ' 41' ' ' ARG . 20.6 mmt180 -74.36 88.8 2.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.722 0.772 . . . . 0.0 112.427 -175.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.56 98.83 7.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.193 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -91.4 -25.62 19.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.395 -169.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -94.81 -9.39 34.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.108 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -70.29 110.21 5.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.249 0.547 . . . . 0.0 110.45 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.66 132.62 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.84 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -101.57 134.18 45.1 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -115.55 131.84 56.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.121 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -106.28 128.19 60.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 0.0 110.998 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -123.28 151.58 42.23 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.636 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -144.93 125.5 14.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.971 -172.126 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -115.3 117.82 31.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.903 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.586 HE21 HG23 ' A' ' 95' ' ' VAL . 36.2 tt0 -119.46 90.73 43.16 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.39 -13.12 8.81 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.766 2.311 . . . . 0.0 112.202 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 8.6 t70 -143.47 134.73 25.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.545 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.89 179.09 33.32 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.041 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.27 113.78 5.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.869 0.366 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.68 134.75 3.5 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.199 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.8 m -86.95 112.08 21.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.903 0.383 . . . . 0.0 110.39 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.587 ' HG ' HD11 ' A' ' 68' ' ' LEU . 57.3 tp -89.93 133.68 34.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.93 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.62 153.97 38.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.016 0.436 . . . . 0.0 110.789 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.8 ttm -88.71 159.32 17.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.484 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 4.5 p -57.57 -20.37 31.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.59 -22.52 50.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.021 0.438 . . . . 0.0 110.938 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.28 -7.47 24.89 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -60.61 118.92 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.313 -0.443 . . . . 0.0 111.011 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.6 t -80.22 125.17 38.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.636 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 70.3 mt -98.16 115.98 29.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.716 -174.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 92.8 mt -108.9 130.18 23.04 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.117 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 23.9 Cg_exo -62.85 86.81 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.045 2.497 . . . . 0.0 113.311 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -162.71 -52.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.15 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -115.41 -170.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.097 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.34 147.5 52.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -117.98 152.66 50.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.203 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.94 141.21 21.02 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.725 2.283 . . . . 0.0 112.171 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.73 123.06 66.09 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.926 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.72 16.5 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.86 2.373 . . . . 0.0 112.688 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.21 -175.84 47.18 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.704 ' HG2' ' HE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -101.93 -37.34 8.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.717 0.294 . . . . 0.0 110.72 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.739 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 5.6 t -102.12 106.96 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.425 0.631 . . . . 0.0 109.798 174.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -140.22 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.217 -173.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 38.1 mtt85 -113.49 138.68 49.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.303 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 60' ' ' LEU . 86.8 mt -115.71 119.96 37.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 171.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -97.17 99.84 11.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.998 0.428 . . . . 0.0 110.718 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -92.55 104.51 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.488 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -85.17 109.52 18.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.123 0.487 . . . . 0.0 109.745 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -79.38 120.1 23.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.374 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.97 6.87 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.562 0.696 . . . . 0.0 109.135 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -133.37 144.49 49.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 25' ' ' LYS . 22.2 p -95.62 -18.94 20.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.251 0.548 . . . . 0.0 111.029 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.27 -164.49 1.19 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.221 -173.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.447 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . 32.2 mt-30 -63.39 129.8 41.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.258 0.551 . . . . 0.0 110.871 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -119.95 121.26 38.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.83 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 55' ' ' ASP . 30.7 m -102.87 106.36 16.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.916 0.388 . . . . 0.0 111.255 -174.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.586 HG23 HE21 ' A' ' 53' ' ' GLN . 36.1 t -119.4 110.3 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.034 178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -95.25 111.32 23.19 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.53 138.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.36 0.6 . . . . 0.0 111.462 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.496 ' HB3' HD11 ' A' ' 106' ' ' LEU . 37.9 m-85 -119.7 123.69 44.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.922 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -108.71 112.07 24.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -109.07 138.19 45.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.606 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.97 166.22 10.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.697 0.284 . . . . 0.0 110.428 178.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.8 m -70.36 -20.68 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -80.08 -24.59 40.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.24 12.37 8.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.903 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -81.07 139.88 35.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 98' ' ' TYR . 46.1 tp -129.68 119.14 23.02 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.051 0.453 . . . . 0.0 110.364 -178.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.619 HE22 HG13 ' A' ' 15' ' ' ILE . 8.6 tt0 -110.0 109.87 20.6 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.458 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -95.6 125.26 40.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.14 109.5 12.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.025 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.2 m -92.83 119.42 32.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.578 ' HZ ' HG23 ' A' ' 17' ' ' THR . 98.3 m-85 -108.98 119.17 38.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.925 0.393 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -111.99 108.59 17.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -81.96 173.33 12.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.722 -175.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' LYS . 26.4 t-20 75.82 -75.98 0.06 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.97 177.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.15 -165.68 1.75 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.072 -172.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -112.63 102.02 10.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.213 -174.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 p -86.76 77.76 9.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.399 0.619 . . . . 0.0 109.374 177.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -86.6 30.47 0.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.175 -170.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -147.4 135.19 21.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.084 0.469 . . . . 0.0 111.108 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -116.01 -179.3 3.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.461 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 68.64 -76.63 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.938 0.774 . . . . 0.0 112.327 173.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.79 -4.86 59.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.523 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.1 tp -88.33 162.75 16.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 170.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 85.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.331 0.586 . . . . 0.0 110.816 -174.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -132.44 146.26 51.81 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -94.42 33.91 1.36 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.64 0.734 . . . . 0.0 111.167 -168.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -94.79 131.88 40.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 171.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -127.05 43.91 3.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.856 0.36 . . . . 0.0 110.616 -173.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 45.7 m80 64.89 -88.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.191 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.212 175.683 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -104.65 -45.14 4.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.297 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.3 t70 51.81 60.86 3.55 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -168.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.85 -174.18 5.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.227 -1.352 . . . . 0.0 110.989 -166.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -92.25 86.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 63.97 179.4 0.17 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.194 -169.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.1 mt -139.32 -52.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 O-C-N 122.112 -0.367 . . . . 0.0 110.459 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 59.56 80.22 0.2 Allowed 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.716 0.635 . . . . 0.0 109.638 -174.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.46 80.89 3.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.25 0.548 . . . . 0.0 110.975 -173.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.9 t -122.41 73.18 1.1 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -115.66 93.59 37.64 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.163 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.72 162.05 42.24 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.765 2.31 . . . . 0.0 111.96 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -69.97 138.16 52.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.233 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 p -95.53 121.41 37.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.156 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.5 mt -101.06 110.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -97.65 110.7 23.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.966 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 p -112.45 125.72 54.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.09 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.7 ptm -64.37 141.59 98.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.45 131.84 45.61 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.946 2.431 . . . . 0.0 112.382 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -86.11 160.44 51.97 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.15 -175.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.07 146.94 67.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.788 2.326 . . . . 0.0 111.792 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.54 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 3.0 mptp? -88.49 -28.54 20.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.146 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.615 ' HD3' ' HA ' ' A' ' 114' ' ' ASN . 27.2 mmtp -127.88 136.3 51.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.305 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 mt -144.98 115.05 7.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.475 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -97.6 171.34 8.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.408 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.71 122.03 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.33 -17.42 19.05 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -80.37 154.51 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 0.0 110.56 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.1 m -129.26 117.65 21.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.075 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.89 116.34 28.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.035 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -89.28 99.87 12.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.284 0.564 . . . . 0.0 110.083 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.4 mt -93.98 101.82 12.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.995 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.836 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 97.2 mtt180 -80.3 117.64 21.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.084 0.469 . . . . 0.0 110.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.1 129.44 55.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.176 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -124.52 113.08 17.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.117 0.484 . . . . 0.0 111.274 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tt -93.33 119.05 32.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.474 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -102.58 113.23 26.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.518 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' HD3' ' HH ' ' A' ' 47' ' ' TYR . 15.7 ptt180 -87.74 120.12 28.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.25 -73.38 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.256 -170.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.6 -138.96 10.24 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.347 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -85.24 73.02 10.66 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.007 0.432 . . . . 0.0 109.92 -176.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -94.64 100.63 12.54 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 174.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.97 -77.62 0.39 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.482 -171.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 4.3 mm-40 -96.62 35.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.918 0.389 . . . . 0.0 111.888 -174.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.75 103.42 3.64 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 172.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 101' ' ' ASP . 74.6 mmtt -80.5 118.57 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -174.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.422 ' HH ' ' HD3' ' A' ' 38' ' ' ARG . 31.3 m-85 -98.31 120.86 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.5 -177.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 95.5 m-85 -117.42 135.82 53.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.313 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.0 141.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.244 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -154.58 161.64 41.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 171.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 48.3 p90 -146.16 163.19 36.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 176.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -145.21 129.58 17.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 5.0 pm0 -110.21 101.41 47.81 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.304 0.573 . . . . 0.0 110.298 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.463 ' HD2' ' O ' ' A' ' 94' ' ' THR . 37.0 Cg_endo -68.78 -37.01 12.61 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.31 2.007 . . . . 0.0 111.957 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.47 120.88 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.332 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.19 176.81 19.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.157 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.11 -167.33 1.74 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.586 0.231 . . . . 0.0 110.542 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.03 173.48 13.52 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.076 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.3 m -140.59 122.21 15.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 83' ' ' LEU . 41.9 tp -100.74 118.96 37.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.042 0.449 . . . . 0.0 110.547 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -107.82 165.31 11.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.935 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.421 ' HE3' HD23 ' A' ' 68' ' ' LEU . 45.1 ttm -101.17 162.63 12.76 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 6.0 p -61.26 -20.12 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -78.63 -16.6 57.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.106 0.479 . . . . 0.0 110.767 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.12 -5.44 39.04 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -64.75 120.76 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.428 -0.386 . . . . 0.0 111.0 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.1 t -83.65 119.39 32.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.517 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 64.5 mt -88.93 140.59 29.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 91.1 mt -119.12 152.96 52.83 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.564 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 23.5 Cg_exo -64.94 158.22 52.59 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.859 2.372 . . . . 0.0 112.3 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 53.1 m-80 75.42 -61.17 0.48 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.194 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -75.44 162.5 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 111.415 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 48' ' ' PHE . 70.4 mt -111.43 138.78 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.619 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 71.8 m-85 -124.62 135.77 27.04 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.782 172.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 7.5 Cg_exo -72.1 139.84 33.34 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.781 2.321 . . . . 0.0 112.664 -177.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.15 113.9 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -84.83 6.18 5.86 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.882 2.388 . . . . 0.0 112.364 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -148.84 150.91 23.13 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.84 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.17 -38.32 11.13 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.043 0.449 . . . . 0.0 109.915 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -109.79 86.0 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.63 0.729 . . . . 0.0 109.521 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -118.54 175.82 5.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.392 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.836 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 85.9 mtm180 -124.25 129.93 51.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.497 ' HB3' HD11 ' A' ' 60' ' ' LEU . 91.2 mt -101.85 126.39 48.72 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -103.9 97.65 7.61 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.933 0.396 . . . . 0.0 110.955 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -85.2 117.77 24.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.222 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.3 m -90.73 110.96 22.15 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.0 m -71.19 110.25 5.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.66 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.59 13.27 21.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 m -136.63 158.4 44.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.321 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -109.21 -16.59 14.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.446 0.641 . . . . 0.0 109.726 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.76 -177.69 4.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.42 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.33 113.26 3.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.434 0.458 . . . . 0.0 111.852 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -97.72 112.29 24.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.463 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 23.7 m -101.2 105.8 16.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.869 0.366 . . . . 0.0 110.014 178.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.4 t -116.19 119.58 62.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 42.0 t0 -103.11 111.95 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.0 139.68 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -174.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.503 ' HB3' HD12 ' A' ' 106' ' ' LEU . 60.2 m-85 -120.84 122.37 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -111.05 113.07 25.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.511 ' HB3' HD13 ' A' ' 106' ' ' LEU . 11.3 pt20 -120.93 158.15 28.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.941 0.4 . . . . 0.0 111.23 -177.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -116.76 168.2 10.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 178.531 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 p -65.85 -24.14 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.433 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 86.3 t80 -79.88 -23.96 41.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.368 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.36 11.41 7.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.858 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -75.28 143.1 43.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 100' ' ' GLN . 57.2 tp -141.8 120.19 12.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 111.605 -175.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -110.23 109.62 20.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.203 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -106.55 119.26 38.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.188 0.518 . . . . 0.0 110.962 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.2 mt -116.3 110.55 18.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.179 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 6.6 m -93.25 118.09 30.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -111.11 124.59 52.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.774 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.3 t -109.91 112.22 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -91.18 151.11 21.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.262 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.615 ' HA ' ' HD3' ' A' ' 23' ' ' LYS . 63.5 m-80 62.41 54.07 2.6 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.784 0.677 . . . . 0.0 110.579 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 114' ' ' ASN . 14.2 m120 72.41 -179.01 0.21 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.752 -176.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -137.55 147.61 45.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.315 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.2 m -125.32 109.31 12.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.82 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.2 m -147.66 80.76 1.5 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.943 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -131.1 15.63 5.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.681 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 59.94 45.24 12.53 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.122 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -62.91 -27.12 69.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.843 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 56.59 83.99 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.834 0.709 . . . . 0.0 111.46 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.8 mt -90.38 100.57 13.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.268 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 125' ' ' HIS . 42.3 tt0 -86.04 -20.78 28.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.377 -174.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 124' ' ' GLU . 4.9 m-70 68.17 5.67 4.79 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.1 0.476 . . . . 0.0 111.015 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -140.68 134.02 29.77 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.631 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 61.78 87.57 0.1 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.768 0.668 . . . . 0.0 111.291 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -141.39 150.64 42.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -76.0 130.63 38.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.69 0.281 . . . . 0.0 110.543 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.161 178.283 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tpt . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -67.29 -67.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.347 . . . . 0.0 111.235 -174.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -140.54 -29.6 0.68 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.54 0.686 . . . . 0.0 110.064 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -78.49 57.59 2.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.697 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.11 -35.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.425 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.75 -19.15 27.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.155 0.503 . . . . 0.0 110.231 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -118.28 139.2 46.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.965 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -101.33 -40.4 7.13 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 43.3 tt0 56.18 23.42 7.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.613 173.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.9 m -109.1 109.35 20.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.004 0.43 . . . . 0.0 110.71 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.64 153.44 40.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.641 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.75 147.06 82.59 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.934 2.423 . . . . 0.0 112.479 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -82.39 143.88 30.9 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -119.33 126.14 50.72 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG12 ' HA ' ' A' ' 36' ' ' LEU . 57.2 mt -110.47 110.38 31.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.82 137.15 32.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.835 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.501 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 21.9 p -109.9 136.47 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 -175.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.2 mmt -70.34 143.88 91.28 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.291 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -46.23 118.49 2.47 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.49 2.793 . . . . 0.0 113.459 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.9 m -92.4 154.35 42.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.849 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.82 125.52 14.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.077 1.851 . . . . 0.0 111.187 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.542 ' HD2' ' OD2' ' A' ' 116' ' ' ASP . 43.7 mtmt -72.01 -35.1 69.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.747 -176.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -111.97 121.27 44.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.117 177.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD12 ' HG ' ' A' ' 87' ' ' SER . 64.8 mt -122.27 162.77 20.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.189 -177.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' HB2' ' HZ1' ' A' ' 25' ' ' LYS . 9.5 mtmp? -119.47 161.18 20.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.937 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.57 112.34 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.999 0.428 . . . . 0.0 110.068 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.92 -2.92 33.69 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.773 -176.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.57 141.65 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.294 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 m -112.53 112.59 24.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.48 119.62 30.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.271 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -89.88 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.282 0.563 . . . . 0.0 110.464 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.694 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 37.3 mt -87.04 98.79 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.411 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.4 mtt85 -88.17 119.76 28.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.764 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' A' ' 17' ' ' THR . 25.0 m -118.2 140.55 49.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.01 -172.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -121.91 113.33 19.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HA ' HG12 ' A' ' 15' ' ' ILE . 7.8 tt -85.47 120.49 26.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.967 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -91.84 101.63 14.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.492 ' HE ' ' HG3' ' A' ' 79' ' ' GLU . 30.8 ptt180 -122.22 112.08 17.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.122 0.487 . . . . 0.0 110.697 176.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -87.81 147.28 25.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.249 0.547 . . . . 0.0 110.46 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.47 86.86 1.53 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.411 -0.813 . . . . 0.0 113.274 -172.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -96.08 -59.02 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 170.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -122.23 -46.23 2.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.615 170.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.493 ' HG2' ' H ' ' A' ' 44' ' ' GLU . 8.9 tt0 59.52 -153.91 0.38 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.905 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' H ' ' HG2' ' A' ' 43' ' ' GLU . 49.2 mt-10 56.12 27.79 12.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.406 0.622 . . . . 0.0 111.233 -178.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m -91.57 141.41 28.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.483 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.644 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -80.94 119.69 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.664 -177.363 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -98.13 123.33 42.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.706 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.454 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 83.8 m-85 -114.77 150.74 34.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.496 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.7 tt -130.24 138.62 53.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.321 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HB2' ' HA ' ' A' ' 70' ' ' PRO . 39.9 ptt180 -163.23 146.49 10.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.609 ' HE1' ' HB2' ' A' ' 68' ' ' LEU . 53.5 p90 -121.68 146.29 47.16 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.213 -177.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -106.17 124.2 49.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.466 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -114.53 95.93 41.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 94' ' ' THR . 22.5 Cg_exo -65.03 -46.66 5.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.014 2.476 . . . . 0.0 112.579 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -150.88 142.05 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.277 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.47 -160.36 23.96 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.545 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.94 91.95 1.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.15 130.98 3.43 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.185 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.7 m -94.75 112.19 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.738 0.304 . . . . 0.0 110.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -100.97 109.87 21.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.271 0.557 . . . . 0.0 110.429 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HG2' HG22 ' A' ' 67' ' ' VAL . 54.1 mtmt -106.13 160.44 15.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.429 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.7 ttp -92.24 169.49 10.56 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.551 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.6 p -53.6 -31.53 47.43 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.174 0.59 . . . . 0.0 112.399 -177.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.99 -6.98 52.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.323 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.39 -9.53 71.77 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -64.29 122.65 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.389 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.525 HG22 ' HG2' ' A' ' 61' ' ' LYS . 55.8 t -74.96 122.75 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.609 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 69.6 mt -87.06 141.89 28.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.836 0.35 . . . . 0.0 111.049 -173.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.508 ' HB3' ' OD1' ' A' ' 71' ' ' ASN . 3.1 mm? -127.35 154.36 77.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.18 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 72.6 Cg_endo -80.7 -22.89 6.16 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.399 2.066 . . . . 0.0 112.742 176.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.508 ' OD1' ' HB3' ' A' ' 69' ' ' LEU . 24.2 p-10 -89.6 -24.21 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.786 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -111.9 112.01 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.6 tp -87.0 117.23 25.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.121 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 85.2 m-85 -104.44 146.36 32.45 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.577 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.2 Cg_endo -86.77 155.29 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.977 2.451 . . . . 0.0 112.032 176.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -84.2 140.82 39.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.82 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.96 -31.56 15.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.649 2.233 . . . . 0.0 113.132 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.76 -163.83 30.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.038 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.492 ' HG3' ' HE ' ' A' ' 38' ' ' ARG . 1.9 mp0 -70.26 -46.63 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.7 m -98.78 106.34 18.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.097 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -131.37 163.4 27.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.551 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 56.0 mtt85 -124.69 131.65 53.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.488 -175.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.694 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.7 mt -106.37 119.03 38.18 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.987 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.8 100.08 11.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.282 0.563 . . . . 0.0 110.587 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -91.43 107.09 18.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.433 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -88.89 108.57 19.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.091 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.441 ' HG ' HD12 ' A' ' 24' ' ' LEU . 16.3 m -76.93 105.2 7.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.995 -177.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.03 1.4 45.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.72 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.3 p -109.51 162.51 14.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.309 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -123.28 11.14 9.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 110.638 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -137.89 -175.22 4.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.206 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 49.5 tt0 -60.57 133.31 55.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.349 0.595 . . . . 0.0 112.009 -174.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -142.96 135.92 28.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.197 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.431 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 62.2 m -110.75 127.55 55.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.229 0.538 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.57 120.28 57.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.691 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -102.11 113.06 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.8 114.54 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.36 118.86 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -109.23 115.34 29.83 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 170.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 10.5 pt20 -126.39 148.78 49.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.145 0.498 . . . . 0.0 112.321 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.46 ' OD2' ' HB3' ' A' ' 105' ' ' GLN . 34.1 m-20 -88.03 163.78 16.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.336 173.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.453 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 11.6 p -73.16 -5.44 39.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.646 0.736 . . . . 0.0 109.587 170.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -79.73 -22.49 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.197 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.82 -12.73 35.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.46 ' HB3' ' OD2' ' A' ' 101' ' ' ASP . 7.6 tt0 -76.89 144.42 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 pp -147.95 149.35 32.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.405 0.621 . . . . 0.0 111.729 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -120.45 109.75 15.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.727 172.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -96.72 127.06 42.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.122 0.487 . . . . 0.0 110.372 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.5 mt -105.52 113.41 26.96 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.113 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -92.53 114.1 26.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.436 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.501 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.9 m-85 -105.9 118.28 36.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.556 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.1 m -108.93 108.1 18.72 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 98.6 m-85 -83.92 115.08 22.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.67 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -157.43 148.21 21.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.551 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -85.9 118.4 25.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.833 -177.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.542 ' OD2' ' HD2' ' A' ' 22' ' ' LYS . 8.2 m-20 -59.39 116.06 3.68 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 p -170.08 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.474 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.2 m -101.71 99.62 9.89 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.034 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -84.6 142.2 30.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 166.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -47.73 -60.56 2.48 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.437 0.46 . . . . 0.0 111.67 -170.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -150.61 83.69 1.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.599 0.714 . . . . 0.0 110.687 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.56 109.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.586 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.6 mt -77.16 73.36 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.449 -175.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.87 9.72 3.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.3 175.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -100.41 24.36 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -62.59 -38.96 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.896 -1.047 . . . . 0.0 112.069 -169.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -72.99 -10.2 59.55 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 31.9 m170 65.45 94.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -122.02 -53.73 1.94 Allowed 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 166.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.4 t60 . . . . . 0 C--O 1.243 0.732 0 CA-C-N 114.174 -1.376 . . . . 0.0 108.357 168.755 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.496 0.189 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -109.41 88.56 2.77 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.352 0.596 . . . . 0.0 110.166 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -112.22 -26.99 8.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.194 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.491 ' CG ' ' H ' ' A' ' 5' ' ' VAL . 10.6 t70 64.03 -163.33 0.26 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.06 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.491 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 5.2 p -123.07 96.12 3.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.987 0.899 . . . . 0.0 109.077 176.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -88.31 171.9 9.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.939 -171.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.0 pt -93.17 35.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.175 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' HB2' ' HG3' ' A' ' 12' ' ' PRO . 17.5 pt20 -63.21 110.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.743 -176.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -140.87 170.78 15.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.909 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.6 p 51.24 25.42 2.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.595 0.758 . . . . 0.0 110.922 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.8 t80 51.37 96.42 0.04 OUTLIER Pre-proline 0 N--CA 1.463 0.201 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.65 -172.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HG3' ' HB2' ' A' ' 8' ' ' GLN . 94.1 Cg_endo -79.55 162.56 24.66 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.574 2.183 . . . . 0.0 111.1 174.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.84 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 84.7 m-85 -97.87 138.72 34.79 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.018 0.437 . . . . 0.0 110.468 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -123.95 124.15 41.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.52 ' HB ' ' NE2' ' A' ' 107' ' ' GLN . 12.8 mm -101.63 105.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.22 133.67 35.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.878 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 p -125.03 145.58 49.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -86.27 145.58 40.52 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.24 145.04 68.16 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.936 2.424 . . . . 0.0 112.743 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 32' ' ' ILE . 26.9 m -120.21 155.99 55.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -60.45 144.76 99.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.645 2.23 . . . . 0.0 111.77 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -89.28 -40.44 12.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -175.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -98.73 111.14 23.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.39 123.8 45.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 28' ' ' GLU . 22.3 pttm -86.13 164.69 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.639 177.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' A' ' 88' ' ' ALA . 43.3 t -70.28 126.71 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.81 0.338 . . . . 0.0 110.122 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.94 2.24 66.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.856 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 28.2 tt0 -90.07 145.21 25.24 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.6 m -111.57 118.13 34.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.899 0.38 . . . . 0.0 111.36 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.18 117.27 33.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.538 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -80.92 110.77 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 HG11 ' A' ' 20' ' ' VAL . 47.5 mt -93.08 99.51 9.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -78.43 127.58 32.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -125.26 126.8 45.71 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.528 -175.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.511 ' HA ' HE21 ' A' ' 35' ' ' GLN . 0.0 OUTLIER -119.21 113.28 20.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.542 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.85 104.78 17.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -89.64 100.7 13.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 -173.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.619 HH22 HG22 ' A' ' 45' ' ' THR . 12.4 ptm180 -121.21 173.94 7.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.95 43.73 1.13 Allowed 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.526 0.679 . . . . 0.0 110.974 -175.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' HD1' ' A' ' 42' ' ' PHE . . . 75.33 -58.79 2.83 Favored Glycine 0 CA--C 1.521 0.444 0 CA-C-N 115.707 -0.679 . . . . 0.0 114.023 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -63.08 120.18 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -171.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.728 ' HB2' ' HB ' ' A' ' 45' ' ' THR . 28.8 p90 -150.93 112.39 4.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.492 169.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -100.01 -82.56 0.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.179 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -86.64 5.32 36.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.484 0.659 . . . . 0.0 109.447 174.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.728 ' HB ' ' HB2' ' A' ' 42' ' ' PHE . 27.4 m -72.28 117.42 13.9 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.438 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -118.47 142.98 47.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.02 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.646 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 43.7 m-85 -97.38 124.49 41.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.888 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.494 ' HB3' HD11 ' A' ' 73' ' ' LEU . 86.6 m-85 -124.8 148.2 48.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.704 0.288 . . . . 0.0 110.448 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.91 144.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -153.16 166.07 33.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 1.05 ' HH ' HD11 ' A' ' 68' ' ' LEU . 17.5 m-85 -132.0 164.74 25.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.776 -173.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.587 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 75.5 t80 -135.96 140.62 44.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -116.84 94.63 44.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.1 Cg_endo -76.37 -47.0 0.16 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.967 1.778 . . . . 0.0 111.685 175.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -147.08 137.68 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.22 -179.26 25.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.255 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.67 134.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.922 0.391 . . . . 0.0 110.572 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.56 133.81 3.58 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.859 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.3 m -87.66 110.68 20.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 83' ' ' LEU . 36.7 tp -100.69 119.58 38.8 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -109.71 149.45 29.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.6 ttm -82.65 166.74 18.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.45 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 3.8 p -52.22 -31.52 32.44 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.49 -2.13 37.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.658 0.266 . . . . 0.0 111.597 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.38 -5.7 77.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.205 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -59.93 117.73 5.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.524 0.33 . . . . 0.0 111.239 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -75.7 124.31 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.333 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 1.05 HD11 ' HH ' ' A' ' 51' ' ' TYR . 7.0 mt -103.06 127.54 50.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.967 -175.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.62 155.35 37.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.461 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.36 158.05 52.2 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.53 2.153 . . . . 0.0 112.89 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.7 t30 71.85 -37.17 0.38 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.276 1.03 . . . . 0.0 112.436 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.74 135.18 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 48' ' ' PHE . 35.3 tp -90.39 115.49 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.382 . . . . 0.0 110.955 -175.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -103.89 146.15 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.95 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -88.99 137.0 3.1 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.006 2.471 . . . . 0.0 111.692 173.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.646 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 92.7 mt -92.92 131.21 33.98 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.364 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.03 5.83 4.23 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.916 2.411 . . . . 0.0 112.993 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 173.09 -164.59 36.58 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.358 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -110.5 -11.82 14.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.355 0.597 . . . . 0.0 110.197 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 m -111.35 98.29 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.82 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -145.07 158.38 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.094 0.473 . . . . 0.0 111.242 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.466 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.492 ' HB3' HD12 ' A' ' 60' ' ' LEU . 85.2 mt -108.12 133.8 51.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.45 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 68.0 m-85 -103.11 101.56 11.53 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.175 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -87.56 116.31 25.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.2 m -103.88 107.83 18.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.103 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 129.67 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -121.75 -0.96 9.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.875 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.697 ' HG ' ' HG2' ' A' ' 93' ' ' GLN . 24.3 p -122.19 152.22 40.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 176.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 m -91.26 -26.28 19.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.074 0.464 . . . . 0.0 110.966 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -94.41 -159.07 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.12 117.23 3.55 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 111.388 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.89 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 61.0 mt-30 -101.77 111.99 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.326 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.487 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 5.8 m -115.6 105.62 12.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.923 0.392 . . . . 0.0 110.616 -178.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.77 114.14 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.576 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 5.1 t0 -92.74 111.41 23.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.3 t -108.86 131.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.702 0.286 . . . . 0.0 111.246 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.444 ' HB3' HD12 ' A' ' 106' ' ' LEU . 64.4 m-85 -115.91 122.01 44.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.9 113.6 26.65 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.486 ' HB3' HD13 ' A' ' 106' ' ' LEU . 20.7 pt20 -122.19 137.81 54.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.61 0.719 . . . . 0.0 111.614 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -112.51 155.25 24.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.761 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.61 ' OG ' ' HA ' ' A' ' 45' ' ' THR . 11.2 p -74.28 0.47 14.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.944 0.402 . . . . 0.0 111.709 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -78.71 -14.05 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.179 0.514 . . . . 0.0 109.673 171.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.08 1.62 45.09 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.699 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.84 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 11.2 tp60 -80.24 125.85 30.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 100' ' ' GLN . 59.7 tp -128.33 116.23 19.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.024 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.52 ' NE2' ' HB ' ' A' ' 15' ' ' ILE . 7.6 tt0 -114.33 118.17 33.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -97.26 146.27 25.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.78 114.59 12.79 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 m -94.52 112.66 24.43 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.019 0.438 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.68 119.36 37.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -105.24 108.2 19.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.544 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.89 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 93.2 m-85 -101.69 144.02 30.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -177.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 63.23 84.78 0.14 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 124.151 0.907 . . . . 0.0 110.089 -176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 72.24 132.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.192 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.25 89.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.8 p 58.85 165.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.521 1.128 . . . . 0.0 111.878 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -79.91 58.95 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.557 0.694 . . . . 0.0 110.488 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.768 ' HB3' ' HZ2' ' A' ' 119' ' ' LYS . 6.4 ttpm? -84.24 83.99 7.78 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.441 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -116.29 -160.55 0.76 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.369 -0.832 . . . . 0.0 108.925 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -59.53 111.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.45 119.09 33.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.838 -161.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 pp -151.95 20.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.058 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.503 ' HG3' ' CD2' ' A' ' 125' ' ' HIS . 7.7 pt-20 -143.74 -31.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.503 ' CD2' ' HG3' ' A' ' 124' ' ' GLU . 71.4 m-70 -87.58 -36.11 17.72 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 44.2 m80 63.53 -76.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.995 -1.002 . . . . 0.0 113.169 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 63.72 -90.59 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.82 0.448 . . . . 0.0 110.089 -172.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -155.01 51.19 0.6 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -58.23 99.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.142 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.469 179.273 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 p30 42.31 34.54 0.52 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.206 1.003 . . . . 0.0 112.07 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -117.16 159.08 23.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.677 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' HB3' ' H ' ' A' ' 5' ' ' VAL . 11.1 t70 62.96 -92.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.732 0.645 . . . . 0.0 109.619 -173.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.409 ' H ' ' HB3' ' A' ' 4' ' ' ASP . 3.8 p 49.96 18.01 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.577 1.151 . . . . 0.0 113.49 171.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 66.18 163.13 0.17 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.201 0.524 . . . . 0.0 111.362 -177.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.4 mt 62.24 83.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -86.49 49.37 1.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.181 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -57.99 -40.88 81.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.703 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 33.1 p 50.45 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 173.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' HB2' ' O ' ' A' ' 10' ' ' SER . 27.5 m-85 78.43 156.88 0.14 Allowed Pre-proline 0 N--CA 1.47 0.575 0 C-N-CA 124.208 1.003 . . . . 0.0 110.566 -172.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.28 163.29 20.7 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.476 2.117 . . . . 0.0 111.641 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 19.0 m-85 -63.98 138.61 58.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.141 0.496 . . . . 0.0 111.212 -175.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -127.57 125.63 40.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.812 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.495 HD12 HD13 ' A' ' 36' ' ' LEU . 51.1 mt -101.52 115.24 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.942 0.401 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -93.81 116.34 28.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 HG23 ' HZ ' ' A' ' 111' ' ' PHE . 32.2 p -93.23 135.82 34.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.413 ' CG ' ' HB2' ' A' ' 33' ' ' ARG . 95.9 mmm -64.53 134.31 95.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.75 124.13 11.82 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.474 2.782 . . . . 0.0 112.573 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 15.8 m -79.15 157.74 75.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.931 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.621 ' HG2' ' HA ' ' A' ' 116' ' ' ASP . 97.7 Cg_endo -85.4 171.22 8.89 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.58 2.853 . . . . 0.0 114.173 -171.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -107.55 10.66 29.18 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.093 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -140.33 136.84 33.62 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.09 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.935 HD11 ' H ' ' A' ' 116' ' ' ASP . 0.6 OUTLIER -142.75 146.4 34.26 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.719 0.295 . . . . 0.0 110.385 179.764 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -109.04 136.14 49.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.74 111.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 0.0 110.352 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.11 -2.42 29.91 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.735 -175.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -95.56 158.29 15.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.941 0.4 . . . . 0.0 110.233 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 30.0 m -107.72 140.61 40.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.49 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.28 122.23 47.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.644 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 84' ' ' TYR . 20.2 pt-20 -88.82 100.36 13.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mt -84.35 102.89 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.299 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 96.0 mtt180 -87.39 119.83 28.07 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.155 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.436 ' SG ' HG22 ' A' ' 17' ' ' THR . 31.9 m -120.29 127.37 52.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -112.02 112.81 24.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.196 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 HD13 HD12 ' A' ' 15' ' ' ILE . 10.6 tt -89.12 120.85 30.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.9 114.56 21.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' NE ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -124.54 172.34 9.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.096 0.474 . . . . 0.0 111.453 -176.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -98.52 151.23 20.86 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.226 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.9 -5.5 38.39 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.298 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -75.71 -34.24 60.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.912 0.386 . . . . 0.0 110.236 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -85.18 26.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 63.76 -96.16 0.05 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.171 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -161.03 100.65 1.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.071 -172.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -92.3 171.6 8.96 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.85 129.06 46.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.795 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 33.0 m-85 -103.93 148.3 26.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.718 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.524 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 95.1 m-85 -125.32 139.62 53.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.631 0.253 . . . . 0.0 110.667 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -124.72 131.09 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.38 0.61 . . . . 0.0 111.388 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -152.2 142.5 22.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 174.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.606 ' HE2' HE21 ' A' ' 53' ' ' GLN . 37.4 p90 -133.31 166.45 22.46 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.48 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -136.78 122.82 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.606 HE21 ' HE2' ' A' ' 51' ' ' TYR . 9.8 pt20 -113.1 105.0 55.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.165 0.507 . . . . 0.0 110.368 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.45 -20.66 18.03 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 123.014 2.476 . . . . 0.0 111.785 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -97.67 153.66 18.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.959 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.17 96.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.522 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.56 ' HB3' ' OH ' ' A' ' 85' ' ' TYR . . . -117.09 -158.72 0.71 Allowed 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.623 0.249 . . . . 0.0 111.423 -174.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.85 -161.07 27.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.073 -174.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -105.75 128.3 53.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.369 . . . . 0.0 110.841 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 83' ' ' LEU . 60.8 tp -102.23 123.19 45.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HZ2' HG22 ' A' ' 67' ' ' VAL . 68.5 mttm -109.69 161.89 14.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.17 0.509 . . . . 0.0 110.043 174.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.3 ttp -107.56 157.76 17.78 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -56.36 -20.1 17.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -70.18 -21.79 63.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.382 0.611 . . . . 0.0 110.46 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.18 -7.04 34.83 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.62 132.37 46.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.397 -0.401 . . . . 0.0 111.126 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.427 HG22 ' HZ2' ' A' ' 61' ' ' LYS . 96.9 t -88.92 126.0 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.6 mt -94.5 112.3 24.06 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.052 0.453 . . . . 0.0 110.841 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.63 144.36 27.71 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.761 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.54 -2.07 8.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.967 2.445 . . . . 0.0 112.461 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -85.31 -33.93 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.601 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.3 163.51 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.955 0.407 . . . . 0.0 111.637 -171.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.5 tp -107.2 119.15 38.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.297 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.61 148.1 35.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -85.75 132.07 4.03 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.503 2.135 . . . . 0.0 112.472 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 77.3 mt -83.49 115.8 61.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.203 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.22 5.59 5.88 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.038 2.492 . . . . 0.0 113.403 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -156.89 152.23 23.59 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.839 -177.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HG2' ' NE ' ' A' ' 38' ' ' ARG . 2.3 mp0 -79.35 -42.91 24.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.272 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.3 p -102.8 101.51 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.402 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -126.7 150.46 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.51 . . . . 0.0 111.402 -172.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -114.85 135.35 54.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.951 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 60' ' ' LEU . 83.8 mt -109.51 136.09 49.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.768 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 40.1 m-85 -106.21 100.94 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.372 0.606 . . . . 0.0 111.056 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.56 ' OH ' ' HB3' ' A' ' 57' ' ' ALA . 42.8 t80 -98.83 107.7 20.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 18.7 m -88.2 107.28 18.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -92.55 139.63 30.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.56 20.11 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.197 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.553 ' HB3' ' NE2' ' A' ' 93' ' ' GLN . 9.4 t -130.95 152.17 50.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.104 -178.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -111.28 2.81 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.544 0.687 . . . . 0.0 109.883 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.37 174.56 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.596 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.4 103.56 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.4 0.619 . . . . 0.0 109.606 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.553 ' NE2' ' HB3' ' A' ' 89' ' ' SER . 21.8 mt-30 -94.23 119.2 32.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.412 -173.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.7 m -88.54 105.93 17.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 0.0 110.347 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 t -108.64 101.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -97.16 110.92 23.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -106.31 134.5 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.091 0.472 . . . . 0.0 111.077 -173.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.481 ' HB3' HD12 ' A' ' 106' ' ' LEU . 57.1 m-85 -111.86 116.45 30.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.404 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.97 112.81 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.541 ' HB3' HD13 ' A' ' 106' ' ' LEU . 4.5 pt20 -124.65 164.38 20.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.682 -178.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.07 175.41 9.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.615 -177.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.9 m -72.99 -21.33 60.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.083 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.89 -14.71 58.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.55 9.79 20.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.107 -1.044 . . . . 0.0 114.138 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -83.58 155.42 23.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.645 0.723 . . . . 0.0 110.175 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 100' ' ' GLN . 35.5 tp -147.08 116.07 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.42 114.53 27.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.414 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -92.73 128.47 38.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.6 mt -120.39 109.11 14.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 m -99.29 113.65 26.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.88 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' HZ ' HG23 ' A' ' 17' ' ' THR . 92.8 m-85 -109.88 122.73 48.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.221 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 p -95.38 107.43 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -90.8 165.36 13.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.838 -177.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.585 ' N ' HD21 ' A' ' 114' ' ' ASN . 0.0 OUTLIER -166.4 -49.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.97 -179.082 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.601 ' HA ' ' HB2' ' A' ' 24' ' ' LEU . 43.6 m-80 -148.79 72.78 1.2 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.935 ' H ' HD11 ' A' ' 24' ' ' LEU . 3.2 m-20 -131.16 81.32 1.98 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.514 -172.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.667 ' HB2' HD22 ' A' ' 24' ' ' LEU . 45.4 t -113.54 122.87 48.56 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.565 ' O ' ' HG2' ' A' ' 119' ' ' LYS . 28.5 p -70.28 102.21 2.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.514 -176.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 118' ' ' SER . 22.8 pttm 51.16 -171.8 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.364 1.04 . . . . 0.0 112.645 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.53 173.83 14.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.305 173.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -134.72 126.49 29.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.69 -33.53 74.16 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.771 0.319 . . . . 0.0 111.421 -174.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -99.33 90.9 4.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.9 -71.3 0.56 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 50.29 -92.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 O-C-N 124.251 0.969 . . . . 0.0 110.715 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -164.36 101.78 0.84 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.257 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -141.94 128.17 19.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.049 0.452 . . . . 0.0 109.964 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -81.28 125.0 29.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.158 -174.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -121.32 129.33 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.513 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.9 t60 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.892 179.845 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.825 0.345 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -167.44 102.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.774 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -149.31 104.4 3.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.65 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -85.83 126.43 34.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.596 0.713 . . . . 0.0 111.194 -176.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 6' ' ' ASP . 42.2 t -111.47 -26.29 3.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.354 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' VAL . 6.2 m-20 71.37 112.0 0.06 Allowed 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.357 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 pt -85.24 68.49 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.154 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 53.4 mt-30 -62.62 -70.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.876 176.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 8' ' ' GLN . 35.6 tt0 173.8 -35.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.11 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -76.02 53.7 0.8 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.094 -177.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.56 ' HB3' ' HD3' ' A' ' 12' ' ' PRO . 15.8 t80 -80.63 -45.94 1.28 Allowed Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 175.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 11' ' ' TYR . 10.7 Cg_endo -91.64 111.65 0.32 Allowed 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 122.193 1.929 . . . . 0.0 110.516 166.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -68.51 139.2 55.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.193 0.52 . . . . 0.0 112.021 -171.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.0 m -105.23 119.84 40.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.418 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.97 122.78 61.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.282 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.83 142.47 37.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.104 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 p -122.39 131.13 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.109 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.4 mtp -69.2 133.89 89.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -43.65 125.93 5.25 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.688 2.925 . . . . 0.0 113.092 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.1 m -86.37 164.51 37.78 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.908 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.45 148.01 82.85 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.743 2.295 . . . . 0.0 112.01 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -81.72 -45.05 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.644 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -124.9 136.98 54.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.758 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 87' ' ' SER . 65.6 mt -119.18 115.45 24.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.738 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -77.58 153.25 33.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.501 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.02 114.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.767 0.318 . . . . 0.0 110.281 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.63 3.54 22.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.616 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -91.12 149.09 21.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.563 -0.374 . . . . 0.0 110.533 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 m -120.13 107.51 13.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 0.0 110.082 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.06 126.16 34.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.496 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 39.5 mt-10 -87.92 100.32 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.28 175.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.89 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 57.2 mt -80.51 99.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 175.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 32.5 mtm-85 -88.28 115.5 25.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.252 0.548 . . . . 0.0 110.498 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.2 t -125.39 134.75 52.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.433 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -138.27 121.04 16.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.136 0.494 . . . . 0.0 111.059 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 10.2 tt -75.68 112.71 12.33 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 168.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -82.78 100.33 10.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.398 0.618 . . . . 0.0 111.212 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.528 ' NH1' ' HB3' ' A' ' 42' ' ' PHE . 18.4 ttm-85 -126.97 149.04 50.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.84 176.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -76.49 -52.73 9.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.2 0.524 . . . . 0.0 109.832 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.25 -156.03 23.68 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.305 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 61.09 79.51 0.25 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.276 0.56 . . . . 0.0 111.303 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.528 ' HB3' ' NH1' ' A' ' 38' ' ' ARG . 36.6 p90 -147.82 122.43 9.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.904 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -131.47 -27.55 1.95 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.849 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -110.78 -30.64 7.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.449 -172.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.32 107.39 3.27 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.854 -176.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -107.26 138.39 43.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.352 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.869 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 28.2 m-85 -99.19 150.59 21.9 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.584 ' HB2' ' HB2' ' A' ' 100' ' ' GLN . 91.9 m-85 -132.77 154.45 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.8 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.9 tt -141.72 141.56 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -152.95 166.53 32.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.603 ' HE1' HD11 ' A' ' 68' ' ' LEU . 87.7 m-85 -136.5 166.3 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.894 0.378 . . . . 0.0 111.922 -177.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -157.83 114.63 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.781 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -109.53 112.22 58.96 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.05 175.767 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 3.5 Cg_exo -80.87 -7.19 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 123.179 2.586 . . . . 0.0 112.37 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -128.57 -175.71 3.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.891 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.31 127.14 7.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.294 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.07 -173.36 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.594 0.235 . . . . 0.0 110.908 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.04 -137.92 9.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.157 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.3 m -110.31 134.22 52.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 110.668 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.504 HD13 ' HB2' ' A' ' 85' ' ' TYR . 44.2 tp -125.58 125.78 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -177.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 50.2 mtmt -135.2 159.77 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.4 ttp -83.73 159.2 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -52.45 -26.0 11.58 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.26 -23.42 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.42 -3.62 15.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.4 m -73.65 118.12 16.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.101 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.528 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 40.7 t -69.79 128.99 33.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.603 HD11 ' HE1' ' A' ' 51' ' ' TYR . 57.5 mt -101.92 99.51 9.71 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 81.7 mt -102.9 154.65 37.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.993 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 16.4 Cg_exo -69.59 -9.98 27.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.143 2.562 . . . . 0.0 112.276 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -76.04 -38.62 56.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -113.39 156.13 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -173.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -106.78 112.42 25.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -96.29 136.11 22.17 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -173.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.63 136.92 12.53 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.667 2.245 . . . . 0.0 111.527 174.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.9 mt -89.14 114.91 62.14 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.084 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.15 -3.66 14.16 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.4 160.06 32.28 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.744 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -90.61 -13.26 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.094 0.474 . . . . 0.0 110.778 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 111.7 21.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.154 176.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -154.71 166.63 32.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 -175.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 97.2 mtt180 -118.77 147.46 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.459 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.89 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 39.1 mt -115.47 134.26 55.25 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.772 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 57.0 m-85 -110.97 110.1 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.504 ' HB2' HD13 ' A' ' 60' ' ' LEU . 74.0 t80 -107.93 122.95 47.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 178.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -97.6 117.0 30.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.879 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 2.5 p -74.85 115.93 15.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.187 0.518 . . . . 0.0 111.504 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.09 21.11 4.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -119.68 162.83 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.665 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 p -123.12 -0.08 8.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 111.908 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -113.44 -167.42 1.2 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -72.26 111.59 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.708 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 21.8 mt-30 -83.07 111.04 18.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.347 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -105.64 109.03 20.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.142 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.63 117.94 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -96.36 118.28 32.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.514 HG22 ' HE2' ' A' ' 51' ' ' TYR . 40.5 t -99.1 126.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.755 -176.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -107.06 118.5 36.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.687 0.279 . . . . 0.0 111.149 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -109.85 133.37 53.23 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.696 ' HG2' HD23 ' A' ' 106' ' ' LEU . 25.8 mt-30 -132.7 150.04 52.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.73 0.3 . . . . 0.0 110.951 -177.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 159.21 17.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.789 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.1 p -71.24 -9.65 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.748 0.785 . . . . 0.0 109.535 173.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.79 -17.06 56.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.36 18.38 26.38 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.035 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.59 138.53 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.696 HD23 ' HG2' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -122.0 116.0 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.213 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -126.57 109.59 12.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 4.5 pt20 -114.24 133.23 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.302 0.573 . . . . 0.0 111.42 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.46 113.19 18.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.923 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.7 m -94.16 113.88 25.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.837 0.351 . . . . 0.0 110.535 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.04 136.54 41.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.671 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.0 p -120.33 108.53 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.708 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 98.3 m-85 -93.64 154.78 17.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 65.3 t30 68.78 22.45 7.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.518 0.675 . . . . 0.0 111.175 173.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -93.37 115.05 27.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -100.34 7.08 44.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.63 -174.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.6 p 45.43 72.61 0.2 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.361 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 119' ' ' LYS . 15.7 m -73.5 178.82 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.521 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 121' ' ' GLU . 21.7 pttp 55.06 163.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.815 1.246 . . . . 0.0 113.584 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -85.77 -21.18 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.646 0.736 . . . . 0.0 109.106 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.54 ' HB2' ' HD2' ' A' ' 119' ' ' LYS . 40.6 mt-10 -70.35 111.03 5.63 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.412 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.459 ' OE2' ' HA ' ' A' ' 125' ' ' HIS . 21.7 pt-20 -134.36 147.92 50.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.488 177.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.31 102.38 2.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 66.41 120.48 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.248 -172.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.459 ' HA ' ' OE2' ' A' ' 122' ' ' GLU . 29.6 t-80 -53.93 118.35 3.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.714 178.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -62.37 147.5 48.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.573 0.702 . . . . 0.0 112.314 -172.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -87.32 177.66 7.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.12 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -81.9 -171.29 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.299 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 46.8 t60 63.43 53.86 2.07 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.3 m80 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.799 177.835 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -146.68 100.01 3.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.42 0.629 . . . . 0.0 109.641 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -139.79 -21.17 0.89 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.568 -178.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -95.88 -150.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.442 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.19 32.57 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.691 0.758 . . . . 0.0 110.653 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -75.66 53.09 0.69 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.597 0.713 . . . . 0.0 111.222 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 pt -86.22 2.43 4.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.179 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.47 125.54 24.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.443 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 66.6 11.1 7.91 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.771 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.5 t -99.49 136.09 39.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -101.08 104.7 34.26 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -77.15 126.08 8.33 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.53 2.153 . . . . 0.0 111.495 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -77.22 138.01 39.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.077 0.465 . . . . 0.0 110.057 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t -106.6 128.49 54.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.58 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 35' ' ' GLN . 57.8 mt -132.24 105.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 109.866 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -104.68 153.75 20.85 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.479 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.502 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 41.1 p -119.37 143.15 47.59 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.409 -177.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.6 mtt -72.79 147.93 89.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.55 127.84 23.96 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.162 2.575 . . . . 0.0 112.662 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 m -105.11 155.68 37.33 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.562 -174.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 127.39 10.09 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.753 2.302 . . . . 0.0 110.997 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.81 -27.67 40.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.047 0.451 . . . . 0.0 110.454 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -110.0 121.58 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.271 0.558 . . . . 0.0 110.51 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 HD12 HE21 ' A' ' 93' ' ' GLN . 85.0 mt -122.6 170.74 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.502 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HD3' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.77 152.86 41.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 89' ' ' SER . 20.3 t -58.01 121.26 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 173.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.3 -15.75 58.67 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.148 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 13.6 mm-40 -79.23 125.52 29.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.433 . . . . 0.0 109.954 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.8 m -100.62 117.13 34.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.187 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.33 113.75 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -78.96 108.82 12.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.845 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -102.81 99.91 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -83.39 133.06 34.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.486 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.9 m -116.87 146.9 42.62 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.771 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 7.1 tp60 -116.9 112.78 21.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 7.5 tt -99.8 122.01 42.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -129.92 117.13 19.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.199 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 9.5 ptm180 -146.82 114.37 6.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.082 172.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -82.46 -166.3 1.25 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.48 33.53 7.5 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.131 -177.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 70.05 116.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.441 0.696 . . . . 0.0 111.774 176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -82.15 97.16 8.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.877 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 45' ' ' THR . 36.6 mt-10 -108.02 -132.18 0.32 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.056 -177.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.95 23.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.982 0.42 . . . . 0.0 110.744 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 43' ' ' GLU . 5.8 m -68.97 105.74 2.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.713 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 102' ' ' SER . 67.7 mttm -99.21 140.21 33.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.116 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.815 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 55.8 m-85 -102.01 146.42 27.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.094 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 78.0 m-85 -127.73 150.1 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 0.0 110.758 -178.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.87 140.35 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.702 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 26.2 ttp180 -162.1 135.5 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.616 ' HE2' HE21 ' A' ' 53' ' ' GLN . 39.3 p90 -138.41 166.79 23.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.541 -173.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -132.75 125.17 29.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.778 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.616 HE21 ' HE2' ' A' ' 51' ' ' TYR . 6.8 pt20 -112.87 94.48 29.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.73 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.36 -46.87 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.447 2.098 . . . . 0.0 112.673 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -116.37 -28.99 6.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.064 -176.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.544 ' HA2' ' O ' ' A' ' 92' ' ' GLN . . . -72.4 94.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.567 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 89' ' ' SER . . . -83.42 98.57 9.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.196 0.522 . . . . 0.0 110.764 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.6 161.17 32.97 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.097 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.459 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 29.7 m -98.13 114.29 26.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 83' ' ' LEU . 38.0 tp -94.24 116.96 29.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.533 . . . . 0.0 110.665 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -106.26 151.07 25.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.228 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.452 ' HE1' HD22 ' A' ' 68' ' ' LEU . 45.7 ttm -82.29 164.28 21.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.93 -23.6 19.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.423 ' CG ' ' HG1' ' A' ' 66' ' ' THR . 1.8 p-10 -86.83 -15.73 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.698 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.75 -6.09 24.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.06 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.423 ' HG1' ' CG ' ' A' ' 64' ' ' ASP . 94.1 m -67.61 125.62 26.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.765 0.283 . . . . 0.0 111.521 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.44 121.26 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD22 ' HE1' ' A' ' 62' ' ' MET . 54.8 mt -91.47 118.81 30.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.339 -173.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 4.1 mm? -76.15 124.56 88.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 171.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 88.5 Cg_exo -47.33 -49.23 13.4 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.498 2.798 . . . . 0.0 114.022 -172.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -87.38 4.41 43.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -103.48 144.92 30.76 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.968 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 48' ' ' PHE . 33.2 tp -93.71 111.31 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.696 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -105.07 151.88 39.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -86.05 147.3 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.645 2.23 . . . . 0.0 112.184 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.815 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.3 mt -94.84 129.75 35.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.85 -23.72 30.05 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.932 2.421 . . . . 0.0 113.106 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.28 -177.43 39.93 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.042 -1.075 . . . . 0.0 112.856 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -82.79 -34.43 27.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -94.42 40.99 1.09 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.219 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -75.18 163.56 27.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.343 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.87 145.74 52.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.649 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 60' ' ' LEU . 96.0 mt -116.45 139.48 50.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -117.2 109.35 16.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 0.0 110.983 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -95.32 106.35 18.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.619 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.459 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.9 m -86.95 106.75 18.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.543 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -66.88 130.38 42.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.97 23.78 3.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.713 0.292 . . . . 0.0 111.648 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 26' ' ' VAL . 15.8 t -126.3 -178.76 4.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -61.12 -43.4 98.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 149.28 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.446 -1.706 . . . . 0.0 110.38 150.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.544 ' O ' ' HA2' ' A' ' 56' ' ' GLY . 5.9 tm0? -105.39 118.1 35.7 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.072 168.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.621 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 17.3 mp0 -119.72 108.17 14.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.817 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 m -143.6 105.55 4.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.819 171.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.95 135.03 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.086 -174.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -101.37 112.2 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.84 116.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.467 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 91.7 m-85 -93.12 126.82 38.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.319 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CE2' HD13 ' A' ' 109' ' ' LEU . 81.5 m-85 -109.02 114.46 28.22 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.544 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 11.3 tt0 -108.33 120.43 42.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.788 -169.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -91.03 152.47 20.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.912 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 17.4 t -67.99 -15.28 63.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.676 -175.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -79.47 -9.18 59.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.3 10.8 33.09 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 177.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -103.17 126.48 50.36 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.458 ' HB3' ' HG3' ' A' ' 100' ' ' GLN . 3.1 pp -123.21 135.01 54.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.131 0.491 . . . . 0.0 110.346 177.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -110.71 118.26 35.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.47 -177.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -90.33 107.64 19.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.282 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 99' ' ' PHE . 67.7 mt -100.91 115.12 29.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.833 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -92.73 120.8 33.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.47 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.502 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.1 m-85 -105.51 118.0 35.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 m -128.26 109.7 11.72 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.621 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 2.3 m-85 -93.75 117.72 30.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.301 -177.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -82.96 83.13 7.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.52 0.676 . . . . 0.0 109.804 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -73.05 -5.35 38.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.497 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.91 -20.57 60.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.254 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.0 m 59.35 42.74 17.63 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.997 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.59 113.13 8.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.879 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.13 -18.74 52.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.665 0.269 . . . . 0.0 110.895 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -74.9 153.01 38.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.14 96.26 8.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.854 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -147.51 -67.16 0.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.91 83.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.537 0.684 . . . . 0.0 111.378 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 174.33 -21.94 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.089 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -53.02 134.17 38.19 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.615 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -63.47 112.09 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.54 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -76.98 169.91 17.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.672 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -65.46 -173.78 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -65.82 -24.65 66.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.93 170.106 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.137 0.494 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -131.79 138.84 48.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.09 149.77 40.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.621 0.248 . . . . 0.0 110.355 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -60.22 112.26 1.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.097 0.475 . . . . 0.0 112.11 -170.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 m -83.51 158.46 3.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.004 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -131.07 82.22 2.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.928 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.8 mm 64.7 113.1 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 111.918 175.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 37' ' ' HIS . 29.8 pt20 -84.52 -4.93 59.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.197 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HB3' ' HE2' ' A' ' 11' ' ' TYR . 98.7 mt-30 59.11 72.18 0.54 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.036 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.463 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 67.6 m -82.38 110.46 17.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.499 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.577 ' HB2' ' HD3' ' A' ' 12' ' ' PRO . 95.0 m-85 -120.95 -61.99 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.148 173.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 11' ' ' TYR . 78.3 Cg_endo -80.94 159.34 21.04 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.393 1.395 . . . . 0.0 111.924 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.96 135.57 38.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -177.396 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' A' ' 38' ' ' ARG . 13.3 t -168.1 110.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 167.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.455 HD12 ' HE1' ' A' ' 13' ' ' PHE . 41.1 mt -129.64 133.04 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.565 0.222 . . . . 0.0 111.341 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.35 135.45 43.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.457 HG21 HD12 ' A' ' 109' ' ' LEU . 36.9 p -119.36 126.97 52.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.554 -173.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.462 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.5 mpt? -72.23 130.2 86.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -58.4 146.31 90.55 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.05 2.5 . . . . 0.0 112.805 -177.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG11 HG12 ' A' ' 32' ' ' ILE . 28.7 m -96.4 167.05 12.98 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.561 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 32.9 Cg_exo -57.65 141.94 95.6 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.324 2.016 . . . . 0.0 111.362 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -71.18 -48.29 52.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.331 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -108.17 138.03 45.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.503 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -133.0 151.65 52.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.094 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.22 161.8 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.954 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.56 111.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.61 2.77 32.71 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.993 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -88.62 158.89 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 m -127.13 119.71 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 110.787 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.26 114.1 27.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -84.86 102.01 12.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.235 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.615 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 31.1 mt -82.4 98.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -82.45 114.56 20.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' HG23 ' A' ' 17' ' ' THR . 25.5 m -121.09 126.69 50.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -114.02 120.35 40.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.999 0.428 . . . . 0.0 110.205 174.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -85.84 121.2 28.16 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 172.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.421 ' HA ' ' OE1' ' A' ' 8' ' ' GLN . 22.9 t-80 -128.81 106.31 8.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.66 -174.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.581 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.6 mmm180 -118.61 173.0 7.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 112.829 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.06 -32.11 7.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.298 -176.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.76 -129.2 7.19 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.755 -177.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? 71.89 -67.77 0.25 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.589 0.756 . . . . 0.0 112.108 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CD2' ' HG3' ' A' ' 12' ' ' PRO . 95.6 m-85 -65.95 162.0 20.14 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -169.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -112.41 129.27 56.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.173 -176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 46.33 83.82 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.978 0.799 . . . . 0.0 113.111 171.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 102' ' ' SER . 6.1 m -137.77 113.98 10.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.96 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.26 159.07 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.454 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 65.8 m-85 -109.4 133.25 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.836 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.502 ' HB3' HD21 ' A' ' 73' ' ' LEU . 83.1 m-85 -124.93 136.78 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.385 . . . . 0.0 110.884 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.0 tt -111.94 133.66 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.476 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 23.0 ttp180 -156.21 106.22 2.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.346 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.498 ' CB ' ' HA ' ' A' ' 97' ' ' VAL . 19.5 p90 -105.31 158.7 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.485 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 69.5 t80 -122.76 144.35 49.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.957 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -110.28 94.69 19.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HD2' ' O ' ' A' ' 94' ' ' THR . 24.3 Cg_exo -63.66 -38.01 43.25 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.109 1.873 . . . . 0.0 110.149 173.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.699 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 30.9 m-20 -108.99 106.82 16.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 171.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.95 72.69 1.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.499 -174.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.55 122.27 9.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.496 0.188 . . . . 0.0 110.501 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.25 154.52 9.41 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.616 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.467 HG22 ' HG3' ' A' ' 61' ' ' LYS . 90.4 m -122.32 111.85 17.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.725 0.298 . . . . 0.0 110.506 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 83' ' ' LEU . 53.2 tp -94.03 115.33 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.467 ' HG3' HG22 ' A' ' 59' ' ' THR . 36.1 mtmm -120.4 152.98 37.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.733 0.301 . . . . 0.0 110.669 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.6 ttm -84.92 163.09 19.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.523 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -57.83 -20.35 35.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.28 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.44 ' CG ' ' HG1' ' A' ' 66' ' ' THR . 4.3 p-10 -89.27 -7.56 55.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.747 0.308 . . . . 0.0 110.802 -178.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.13 -3.07 37.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.06 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.44 ' HG1' ' CG ' ' A' ' 64' ' ' ASP . 89.2 m -68.31 124.55 23.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.725 0.298 . . . . 0.0 111.278 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -81.93 116.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.815 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.7 mt -84.88 122.38 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.816 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.7 mt -93.05 143.26 26.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.864 0.364 . . . . 0.0 111.196 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.3 132.84 40.43 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.489 2.126 . . . . 0.0 111.883 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 73.08 -6.42 1.71 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.439 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -88.96 150.9 22.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.502 HD21 ' HB3' ' A' ' 48' ' ' PHE . 6.7 tt -118.72 129.3 55.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.707 0.289 . . . . 0.0 111.029 -170.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -131.11 156.8 79.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.909 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.44 149.39 11.61 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.886 2.39 . . . . 0.0 111.84 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -91.3 119.47 68.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.557 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 63.0 Cg_endo -94.44 6.23 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.267 2.645 . . . . 0.0 114.125 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -150.9 157.07 27.0 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 119.866 -1.159 . . . . 0.0 113.5 -176.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -93.49 -40.1 10.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -104.72 81.06 1.72 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.446 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.3 164.54 13.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.867 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.523 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 32.3 mtm180 -129.71 128.38 42.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.328 -178.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.615 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 89.8 mt -102.43 115.86 31.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.942 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -99.85 101.06 12.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.14 0.495 . . . . 0.0 110.932 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -86.8 114.26 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.129 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.7 m -85.65 113.54 21.95 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -73.59 108.4 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.391 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.44 -6.69 21.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.882 174.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.404 ' HG ' ' HB2' ' A' ' 93' ' ' GLN . 35.1 t -106.89 143.43 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.133 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.5 t -115.08 3.06 14.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.204 0.526 . . . . 0.0 109.978 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -119.83 -173.7 2.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.907 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -65.26 103.43 0.79 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.325 0.583 . . . . 0.0 110.547 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.699 ' HG2' ' HB2' ' A' ' 55' ' ' ASP . 25.0 tm0? -121.66 133.24 54.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.192 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.449 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 86.4 m -108.47 118.57 37.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -101.38 120.84 51.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.89 172.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -113.11 110.69 20.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.098 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.498 ' HA ' ' CB ' ' A' ' 51' ' ' TYR . 39.5 t -104.95 121.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 -173.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 97.4 m-85 -99.12 122.07 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.791 0.329 . . . . 0.0 110.776 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 39.7 m-85 -108.8 111.9 23.89 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -105.8 130.51 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.607 0.718 . . . . 0.0 112.18 -172.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' OD2' ' HA ' ' A' ' 12' ' ' PRO . 10.8 t70 -80.87 157.96 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 175.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.55 ' HB2' HG23 ' A' ' 45' ' ' THR . 49.3 m -69.37 -25.23 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.27 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -80.13 -20.13 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 0.0 110.819 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.84 -3.37 10.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.968 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -73.49 102.2 3.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -106.8 134.28 50.19 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.415 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -110.07 110.4 21.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.815 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -92.23 111.08 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.457 HD12 HG21 ' A' ' 17' ' ' THR . 68.1 mt -99.89 108.95 21.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.8 m -100.7 115.95 31.46 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.603 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -113.92 118.63 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.674 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 52.1 m -115.07 119.96 38.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -96.13 174.88 6.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -169.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 84.53 -67.62 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.725 1.21 . . . . 0.0 111.477 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -154.83 -65.37 0.13 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 117' ' ' SER . 24.1 t70 65.81 -176.71 0.18 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.84 175.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.432 ' H ' ' CG ' ' A' ' 116' ' ' ASP . 10.6 t -70.6 -27.0 63.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 174.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.6 m 77.35 149.95 0.11 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.716 172.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -121.54 138.2 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.019 173.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -116.68 37.32 3.81 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.262 0.554 . . . . 0.0 109.581 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 63.59 -161.99 0.28 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.423 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -97.47 106.59 18.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.034 0.445 . . . . 0.0 111.183 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 123' ' ' LEU . 5.4 mp -89.9 -43.61 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.244 0.545 . . . . 0.0 109.849 176.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 125' ' ' HIS . 0.0 OUTLIER -115.99 178.8 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.009 -177.774 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 124' ' ' GLU . 64.8 m80 75.02 12.68 3.41 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.203 0.601 . . . . 0.0 112.283 173.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -128.33 -53.69 1.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.65 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -76.67 -61.53 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.037 -175.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -103.65 100.46 10.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.809 0.814 . . . . 0.0 110.355 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -141.16 -9.46 0.99 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.243 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 45.2 t60 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.821 -179.048 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--O 1.236 0.381 0 CA-C-O 121.241 0.543 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -107.81 134.35 50.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.876 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.22 113.01 43.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -86.44 110.45 19.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.515 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 74.9 p -109.84 139.78 44.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.547 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 7.2 ptp -71.23 145.5 91.03 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.086 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.69 110.9 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.623 2.216 . . . . 0.0 111.711 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -78.53 158.89 75.58 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.128 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -55.58 133.54 58.68 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.526 2.151 . . . . 0.0 111.931 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -89.98 -14.78 33.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.293 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -129.39 132.53 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.697 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.86 152.12 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.461 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -113.93 170.41 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.7 115.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.5 50.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.72 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.81 144.12 39.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.2 m -122.54 124.65 44.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.53 123.51 36.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.374 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.588 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -89.56 100.55 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.434 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 44.6 mt -93.68 98.59 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.252 0.548 . . . . 0.0 110.675 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HB3' ' HG2' ' A' ' 18' ' ' MET . 60.5 ttp85 -80.26 117.38 20.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.18 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 32' ' ' ILE . 32.8 m -119.14 131.95 55.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -129.19 114.34 16.18 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.9 tt -88.63 116.73 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -176.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -91.88 113.63 25.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.68 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.586 HG23 ' HB3' ' A' ' 102' ' ' SER . 42.9 m . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 120.871 0.367 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HB2' ' HE2' ' A' ' 46' ' ' LYS . 2.6 mppt? -96.13 142.36 28.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.17 141.22 31.37 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.554 ' HB3' HD11 ' A' ' 73' ' ' LEU . 95.1 m-85 -114.19 124.43 52.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.0 tt -106.88 129.95 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.433 0.635 . . . . 0.0 111.419 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 50' ' ' ARG . 44.7 ttp180 -150.93 140.57 21.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.403 ' CE1' HD23 ' A' ' 60' ' ' LEU . 35.7 p90 -133.92 144.0 48.57 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.831 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -107.76 131.62 54.25 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -118.58 102.62 49.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.5 Cg_exo -61.85 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.9 2.4 . . . . 0.0 111.453 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.21 -73.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.226 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.46 -26.33 3.07 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 113.159 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . -128.09 172.95 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.308 0.554 . . . . 0.0 111.483 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 126.6 3.01 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.688 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -94.92 111.82 23.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.68 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 83' ' ' LEU . 51.7 tp -106.91 111.8 24.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HG2' HG22 ' A' ' 67' ' ' VAL . 58.1 mtmt -116.04 143.74 45.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.7 ttm -76.42 156.63 32.97 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 82' ' ' ARG . 48.4 t -55.15 -28.05 49.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.87 0.367 . . . . 0.0 111.42 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.07 3.68 29.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.701 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.79 -3.81 65.45 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.093 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -71.75 116.49 12.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' ' 61' ' ' LYS . 96.8 t -76.95 126.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.5 mt -101.94 118.89 37.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 0.0 110.861 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -92.49 134.27 28.31 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.897 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.58 -33.62 96.84 Favored 'Trans proline' 0 N--CA 1.474 0.36 0 C-N-CA 123.185 2.59 . . . . 0.0 113.412 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -85.71 -7.93 58.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.308 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.44 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 4.1 t70 -99.41 -172.46 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 48' ' ' PHE . 54.4 tp -148.54 117.16 6.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.8 m-85 -119.66 145.79 40.01 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.851 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 2.2 Cg_endo -82.57 141.27 11.01 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.885 2.39 . . . . 0.0 111.731 175.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.6 145.42 54.65 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.681 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.98 -10.24 18.05 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.717 2.278 . . . . 0.0 112.934 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -164.63 35.42 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.58 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -78.85 -31.38 45.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 0.0 110.555 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.7 p -96.05 98.47 10.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -138.17 153.27 49.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.35 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 91.1 mtm180 -129.71 143.09 50.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.2 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.603 ' HB3' HD11 ' A' ' 60' ' ' LEU . 89.8 mt -119.64 129.18 54.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.696 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 90.8 m-85 -107.46 103.78 13.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.959 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.487 ' HB2' HD13 ' A' ' 60' ' ' LEU . 68.7 t80 -100.33 112.37 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.459 -178.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -93.44 108.42 20.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.888 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -71.82 126.25 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.0 20.79 11.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.331 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 20.0 m -127.38 153.63 46.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.508 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -98.08 10.88 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.053 0.454 . . . . 0.0 111.136 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -163.38 1.04 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.96 113.48 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.658 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.8 mp0 -80.59 110.08 15.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.28 0.562 . . . . 0.0 109.573 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.545 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 17.5 m -109.44 110.97 22.24 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.783 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -120.67 108.88 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.22 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 44.9 t0 -97.58 110.15 22.77 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.9 t -100.88 130.71 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.53 ' HB3' HD11 ' A' ' 106' ' ' LEU . 43.2 m-85 -111.74 122.66 48.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.376 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -108.61 111.9 23.96 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 173.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -103.43 122.71 45.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.025 0.441 . . . . 0.0 110.767 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.48 156.77 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.794 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.586 ' HB3' HG23 ' A' ' 45' ' ' THR . 30.0 t -68.33 -26.83 65.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.387 -176.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -81.45 -5.88 58.37 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 111.093 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.79 7.3 39.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -88.39 128.35 35.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.338 0.569 . . . . 0.0 109.882 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 98' ' ' TYR . 52.2 tp -106.91 123.76 48.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.48 109.68 20.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.822 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -105.9 133.75 50.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.0 111.278 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.26 109.76 12.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.56 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 4.4 m -94.02 113.67 25.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.335 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -104.22 125.92 50.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.3 p -107.33 108.51 19.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.982 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.658 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 74.2 m-85 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.208 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' HE2' HD11 ' A' ' 15' ' ' ILE . 33.0 p90 . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 t -107.32 117.62 34.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.928 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.608 ' HB ' HE22 ' A' ' 107' ' ' GLN . 61.1 mt -103.72 108.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -99.92 156.59 17.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.216 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -131.3 150.89 51.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.461 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -73.91 150.62 88.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.077 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.59 107.71 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.06 161.29 68.87 Favored Pre-proline 0 C--O 1.238 0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.285 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.15 149.53 62.84 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.777 2.318 . . . . 0.0 111.749 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -83.11 -12.29 57.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -174.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -151.4 153.97 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -136.96 137.72 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.882 0.372 . . . . 0.0 111.136 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 54.5 tttm -81.72 154.2 26.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.785 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.87 119.8 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.49 -18.05 55.82 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -175.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 36.9 tt0 -77.66 129.11 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.1 m -108.69 129.7 55.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.054 0.454 . . . . 0.0 111.095 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 130.12 55.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.26 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.67 117.77 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 110.384 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 51.6 mt -101.26 99.68 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -80.28 128.49 33.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 t -118.73 150.82 39.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.427 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -140.01 113.4 8.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -88.66 108.78 19.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.12 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -91.58 106.69 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.461 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.72 HH21 ' HE2' ' A' ' 47' ' ' TYR . 68.9 mtt85 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 171.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -90.59 129.08 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.72 ' HE2' HH21 ' A' ' 38' ' ' ARG . 68.8 m-85 -100.3 129.79 46.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.405 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.574 ' HB3' HD11 ' A' ' 73' ' ' LEU . 72.2 m-85 -118.46 139.92 50.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -176.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.4 tt -115.07 133.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 111.052 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.47 ' NE ' HD13 ' A' ' 73' ' ' LEU . 14.3 ptp180 -148.75 136.15 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.8 p90 -120.71 156.84 30.93 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.636 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -135.61 108.96 7.82 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.789 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' HE2' ' A' ' 51' ' ' TYR . 4.6 pt20 -104.52 114.3 64.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.186 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.72 -33.68 97.1 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.62 2.214 . . . . 0.0 111.051 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -86.0 106.82 17.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.509 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.39 63.85 4.36 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.809 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -158.97 87.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.991 0.424 . . . . 0.0 110.425 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.89 147.86 7.7 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.801 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 91.6 m -118.75 112.3 19.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.754 0.311 . . . . 0.0 110.857 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HG ' HD12 ' A' ' 68' ' ' LEU . 55.9 tp -111.28 109.31 19.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.891 0.377 . . . . 0.0 110.228 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 36.8 mtmm -116.05 145.87 42.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.015 0.436 . . . . 0.0 110.689 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.2 ttp -89.47 152.81 21.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -57.53 -23.95 53.29 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.03 -20.11 65.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.939 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.96 -1.27 38.45 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.1 m -73.61 121.65 21.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.992 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 55.4 t -80.36 120.82 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.57 HD12 ' HG ' ' A' ' 60' ' ' LEU . 73.6 mt -90.22 129.37 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -176.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 3.9 mm? -104.26 155.25 37.5 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.581 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 40.5 Cg_endo -68.76 131.25 22.23 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.233 1.955 . . . . 0.0 111.629 174.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.3 m120 74.58 -35.22 0.29 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.259 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' HB2' ' HB2' ' A' ' 69' ' ' LEU . 2.8 m-20 -64.81 143.06 58.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.636 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 48' ' ' PHE . 23.0 tp -105.78 129.41 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.545 -170.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 60.7 m-85 -123.25 135.94 26.52 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.631 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.4 Cg_exo -76.26 139.01 20.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.796 2.331 . . . . 0.0 111.924 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.2 117.36 68.13 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.661 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -87.18 1.14 7.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.169 2.579 . . . . 0.0 112.288 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.55 179.09 30.15 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.043 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 8.5 pt-20 -124.42 -18.54 5.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.017 0.436 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -110.3 31.11 6.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.281 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -66.64 151.61 47.02 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.181 -174.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -111.39 130.07 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.57 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.5 mt -102.9 138.34 39.91 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.317 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -118.49 102.85 9.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.106 0.479 . . . . 0.0 110.474 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -100.92 117.57 35.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.868 -177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.7 m -99.21 121.41 41.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.744 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 20.3 t -75.62 126.73 31.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -110.71 -4.04 15.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.211 0.529 . . . . 0.0 110.22 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 42.1 t -112.57 148.68 34.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.822 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -111.61 8.56 20.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.467 0.651 . . . . 0.0 109.47 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -111.52 -165.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.024 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -56.58 118.09 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.744 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 9.8 tt0 -119.4 114.35 22.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.921 0.391 . . . . 0.0 110.191 -173.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 m -112.83 121.63 45.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.215 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -128.17 113.67 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.346 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -102.7 113.27 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.48 126.14 57.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -175.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.98 123.79 48.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -109.31 113.51 26.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 173.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.504 ' HB3' HD23 ' A' ' 106' ' ' LEU . 3.9 pt20 -115.36 145.17 42.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.349 0.595 . . . . 0.0 111.54 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 19.4 t70 -108.6 161.55 14.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.229 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -65.86 -25.7 67.31 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -79.34 -23.53 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.462 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.78 -3.08 7.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.982 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 83.7 mm-40 -63.52 142.61 58.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.724 0.297 . . . . 0.0 110.343 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.8 tm? -142.4 116.62 9.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.608 HE22 ' HB ' ' A' ' 15' ' ' ILE . 20.7 tt0 -113.92 118.5 34.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -105.15 126.76 52.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.006 0.432 . . . . 0.0 110.921 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -114.81 110.4 19.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.01 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 m -92.74 113.49 25.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -97.82 119.35 36.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.461 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.4 m -108.67 110.57 22.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.173 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.744 ' HB2' ' HB3' ' A' ' 93' ' ' GLN . 83.1 m-85 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.856 ' HA ' HE22 ' A' ' 107' ' ' GLN . 6.3 p -145.07 130.22 18.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.483 -177.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.0 mt -106.59 117.17 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 0.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.41 113.4 25.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.022 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -96.75 133.86 40.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.6 mmt -72.24 144.84 87.57 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.495 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.74 130.84 31.84 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.207 2.604 . . . . 0.0 112.738 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 27.5 m -99.76 161.38 24.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 25.9 Cg_endo -62.97 165.03 17.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.933 2.422 . . . . 0.0 112.234 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.64 -31.85 18.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 149.87 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.204 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 30' ' ' ALA . 68.7 mt -127.19 143.1 51.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 49.1 mtpt -98.03 165.95 11.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.976 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.97 114.39 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.37 -3.57 59.78 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.804 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . 8.3 tp10 -83.56 125.3 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 28.0 m -103.93 118.95 37.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.925 0.393 . . . . 0.0 111.086 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -93.37 123.16 36.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.214 177.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -86.31 101.22 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 49.3 mt -93.14 99.08 9.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -81.88 126.69 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.2 m -113.17 127.17 56.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.345 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.63 111.72 22.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.654 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -86.65 123.32 31.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.05 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -81.77 107.38 14.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.135 -178.114 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -107.7 140.22 41.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.382 0.611 . . . . 0.0 111.674 -169.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.533 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 1.1 m-85 -97.75 138.54 34.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.532 -175.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 73' ' ' LEU . 81.8 m-85 -125.58 149.9 47.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.76 0.314 . . . . 0.0 110.336 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.542 ' HB ' HD21 ' A' ' 76' ' ' LEU . 16.7 tt -121.77 134.75 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.212 0.53 . . . . 0.0 110.87 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 9.0 ttp180 -153.73 117.39 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.166 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -110.45 152.8 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.36 -176.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -122.24 121.03 35.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.951 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -110.96 94.02 19.19 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 94' ' ' THR . 36.8 Cg_endo -67.35 -47.77 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.114 1.876 . . . . 0.0 112.134 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -144.17 120.78 11.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.99 -176.93 30.11 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 89' ' ' SER . . . -153.81 101.75 2.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.921 0.391 . . . . 0.0 110.606 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.442 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . -156.89 148.93 19.42 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.895 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -97.11 111.92 23.93 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -95.02 110.71 22.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.072 0.463 . . . . 0.0 110.522 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.035 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.494 ' SD ' ' HD3' ' A' ' 77' ' ' PRO . 38.1 ttp -96.74 165.07 12.3 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 2.4 p -55.31 -23.62 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.33 -4.69 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.686 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 7.35 76.86 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.8 m -80.38 119.17 22.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.123 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -76.94 112.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.61 152.56 27.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.2 156.06 75.23 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 7.6 Cg_exo -74.09 152.36 45.56 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.723 2.282 . . . . 0.0 112.247 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 94.3 m-20 77.33 -52.68 0.55 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.628 0.771 . . . . 0.0 112.31 177.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.21 165.25 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 48' ' ' PHE . 36.8 tp -119.32 137.4 53.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -167.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 59.3 m-85 -124.24 147.87 56.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.231 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 2.4 Cg_endo -81.98 145.82 14.21 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.942 2.428 . . . . 0.0 112.79 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.542 HD21 ' HB ' ' A' ' 49' ' ' ILE . 87.5 mt -88.08 146.29 38.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.494 ' HD3' ' SD ' ' A' ' 62' ' ' MET . 58.2 Cg_endo -73.05 -19.95 22.38 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.007 2.472 . . . . 0.0 113.778 -175.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.23 -156.1 27.78 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.532 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -72.28 -47.81 47.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.427 . . . . 0.0 110.93 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -106.42 131.49 53.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -156.15 171.87 19.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 55.8 mtt180 -118.83 137.17 53.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.52 -177.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.472 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 79.4 mt -112.76 115.34 28.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 172.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.53 101.55 13.02 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.085 0.469 . . . . 0.0 110.462 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.442 ' CZ ' ' HA3' ' A' ' 58' ' ' GLY . 83.7 t80 -96.16 100.68 12.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.388 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 44.1 m -86.1 109.19 18.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.842 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 40.8 t -67.53 144.16 55.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.794 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.85 13.21 5.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.568 ' HB3' ' HB3' ' A' ' 57' ' ' ALA . 61.3 p -145.0 159.48 42.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.8 t -101.58 -9.43 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.841 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.85 177.54 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.981 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 151.18 45.82 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' A' ' 112' ' ' SER . 88.6 mt-30 -128.04 115.87 19.14 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 -176.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 25.9 m -109.64 105.68 15.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.127 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.0 t -121.28 112.87 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.42 110.88 21.97 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.69 121.31 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.979 0.419 . . . . 0.0 110.598 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 40.5 m-85 -94.39 122.72 37.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.591 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -109.34 111.95 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.477 ' HB3' HD23 ' A' ' 106' ' ' LEU . 16.1 pt20 -121.8 140.16 52.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.798 -174.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -115.74 158.65 22.51 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.669 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -71.89 -3.78 24.4 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -79.32 -17.83 53.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 109.457 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.7 -8.22 34.22 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.65 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.43 142.03 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 110.328 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.6 tm? -137.83 118.7 14.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.498 -176.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.856 HE22 ' HA ' ' A' ' 14' ' ' SER . 17.3 mt-30 -118.08 112.76 20.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.357 0.599 . . . . 0.0 110.827 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -93.3 112.4 24.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.392 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -105.46 112.56 25.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.009 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.5 m -92.4 113.41 25.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.121 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.78 121.6 41.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.222 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.609 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 10.4 t -121.54 108.69 13.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.898 179.802 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.609 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 95.5 m-85 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.2 m -154.29 156.29 36.71 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' CG ' ' A' ' 99' ' ' PHE . 50.5 mm -112.5 115.34 49.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.319 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.49 116.82 29.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 0.0 110.271 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.485 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 26.8 p -101.8 137.31 40.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.201 -175.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.604 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 85.4 mtp -80.87 144.74 56.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.6 121.53 7.35 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.827 2.351 . . . . 0.0 112.689 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.532 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 33.8 m -83.32 164.89 43.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.432 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.532 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 10.9 Cg_endo -55.79 133.11 56.09 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.473 2.115 . . . . 0.0 111.059 173.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -86.9 3.64 44.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.51 126.55 13.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.047 0.451 . . . . 0.0 110.72 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 30' ' ' ALA . 90.0 mt -126.86 140.24 52.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -119.02 168.78 10.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.38 120.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.56 60.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.308 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -89.45 142.67 27.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.792 0.329 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 31.1 m -108.99 123.78 49.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.039 0.447 . . . . 0.0 110.654 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -95.36 128.27 42.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' CD ' ' HD2' ' A' ' 82' ' ' ARG . 37.0 tt0 -89.61 104.5 17.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.058 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.702 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 55.1 mt -89.96 102.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.8 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 55.7 mtt180 -85.41 119.61 25.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.189 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.69 134.22 55.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.056 -173.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -123.56 114.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.168 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.4 tt -75.77 124.19 26.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.122 0.487 . . . . 0.0 110.586 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -102.65 111.19 23.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.229 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' HD3' ' OE2' ' A' ' 79' ' ' GLU . 16.2 ptt180 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 120.71 0.29 . . . . 0.0 110.979 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.445 -0.677 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.9 130.16 36.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.061 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' HD12 ' A' ' 76' ' ' LEU . 10.7 m-85 -97.51 160.84 14.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.576 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -120.02 135.99 54.72 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.861 0.363 . . . . 0.0 110.4 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.423 ' HB ' HD21 ' A' ' 76' ' ' LEU . 20.3 tt -104.95 137.09 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.211 0.529 . . . . 0.0 110.401 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 1.145 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 29.7 tpt180 -128.4 149.84 50.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.002 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.527 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 61.2 m-85 -136.69 158.33 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.942 0.401 . . . . 0.0 111.742 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 91.6 t80 -151.58 130.24 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.258 175.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -132.77 106.82 12.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.431 0.634 . . . . 0.0 111.837 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 5.8 Cg_exo -78.27 -32.34 2.41 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.888 2.392 . . . . 0.0 112.331 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.73 126.46 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.821 ' HA3' ' HG2' ' A' ' 93' ' ' GLN . . . 141.35 169.04 11.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.394 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.62 125.79 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.88 163.35 36.78 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.568 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.496 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 40.0 m -112.57 112.55 24.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD21 ' CZ ' ' A' ' 51' ' ' TYR . 64.9 tp -111.87 123.6 50.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.456 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG2' HG22 ' A' ' 67' ' ' VAL . 56.1 mtmt -134.88 156.0 49.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.189 0.519 . . . . 0.0 110.808 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.5 ttm -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.6 t -58.77 -24.99 62.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 111.518 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.43 1.37 25.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.359 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.42 11.96 70.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.64 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.0 m -88.11 118.05 27.42 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 122.912 -0.17 . . . . 0.0 110.597 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 61' ' ' LYS . 85.1 t -67.96 131.18 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.526 HD13 ' HE2' ' A' ' 51' ' ' TYR . 70.3 mt -106.72 108.84 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -173.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 89.5 mt -104.8 146.61 32.97 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.459 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 8.1 Cg_exo -73.87 12.0 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.19 2.594 . . . . 0.0 112.622 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -92.39 -30.91 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.01 177.13 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 111.459 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 50' ' ' ARG . 18.6 mt -108.78 136.47 48.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.568 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.2 m-85 -116.4 128.15 26.21 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.459 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 13.5 Cg_exo -69.44 128.17 15.92 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.8 2.333 . . . . 0.0 111.934 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 47' ' ' TYR . 95.6 mt -79.49 118.27 71.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.595 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -81.27 6.76 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.914 2.409 . . . . 0.0 112.278 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.03 165.33 38.06 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.314 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 38.3 mt-10 -106.6 -23.77 12.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -103.62 99.6 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -140.53 173.52 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 111.69 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HD2' ' CD ' ' A' ' 31' ' ' GLU . 85.7 mtm180 -130.02 133.99 47.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.454 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.702 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.4 mt -106.05 125.76 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.933 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -105.22 111.1 23.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.2 0.524 . . . . 0.0 111.177 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -114.49 111.94 22.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.904 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 38.8 m -86.01 111.3 20.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 p -74.31 114.76 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 110.706 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.37 21.07 16.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.301 0.572 . . . . 0.0 110.43 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.4 m -115.69 145.83 42.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.56 -16.53 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.522 . . . . 0.0 110.317 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -116.06 -166.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.97 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 9.8 pt20 -63.12 152.41 37.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.128 0.489 . . . . 0.0 111.653 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.821 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 0.1 OUTLIER -145.75 118.55 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.13 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.0 m -102.35 121.78 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.992 0.425 . . . . 0.0 111.416 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.0 t -111.0 112.8 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.856 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.537 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 7.0 t70 -91.91 111.48 23.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.45 129.33 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.637 -171.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 1.145 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 68.4 m-85 -113.98 130.3 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.156 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 15' ' ' ILE . 97.4 m-85 -113.42 111.65 22.31 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -115.56 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 0.0 111.42 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.33 164.7 14.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.052 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -62.45 -31.79 72.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -79.49 -24.83 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.57 0.224 . . . . 0.0 110.622 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 122.16 12.6 5.22 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.486 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.609 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 6.7 tp60 -75.75 119.69 20.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 98' ' ' TYR . 45.0 tp -117.04 125.85 51.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.028 -173.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -109.94 128.67 55.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.184 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -108.19 116.91 32.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.453 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 109.22 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.685 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.2 m -97.03 117.59 31.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.397 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.0 m-85 -103.82 117.84 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 p -118.37 108.22 14.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.1 0.476 . . . . 0.0 110.285 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 92.2 m-85 . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -96.73 112.92 24.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.772 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.467 HD12 ' HG3' ' A' ' 107' ' ' GLN . 55.1 mt -108.92 110.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 152.96 26.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.404 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' SG ' ' A' ' 34' ' ' CYS . 23.1 p -119.41 139.27 52.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.202 -177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 96.5 mmm -75.59 126.01 87.91 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.81 126.58 13.02 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.813 3.009 . . . . 0.0 113.923 -171.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.36 158.78 54.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.245 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -68.41 146.93 70.22 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.316 2.011 . . . . 0.0 112.024 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -84.61 -27.23 27.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 0.0 109.951 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -107.0 122.88 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.251 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.11 107.64 14.74 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.638 0.732 . . . . 0.0 111.269 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 50.5 tptt -68.43 148.79 50.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.605 176.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.95 111.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.83 4.1 48.79 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.512 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 8.6 tp10 -82.46 151.34 26.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -114.79 111.29 21.01 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.47 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . . . -82.77 97.63 8.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.517 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -79.62 109.63 14.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.643 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 32.1 mt -106.46 99.12 7.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -88.78 118.49 28.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.98 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' SG ' HG22 ' A' ' 17' ' ' THR . 33.4 m -116.38 145.06 43.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.754 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.592 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 53.1 tt0 -136.11 127.24 28.01 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.195 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -94.87 123.45 38.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.187 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -101.79 112.84 25.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 176.033 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -90.5 137.24 32.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.674 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.715 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 47.7 m-85 -100.99 161.37 13.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.494 ' HB3' HD11 ' A' ' 73' ' ' LEU . 96.3 m-85 -131.54 143.87 50.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.705 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.419 ' HB ' HD21 ' A' ' 76' ' ' LEU . 13.5 tt -122.38 136.05 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.042 0.448 . . . . 0.0 110.673 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -150.05 117.33 6.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.696 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.532 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.0 p90 -108.06 147.97 30.43 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.936 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -117.06 126.36 52.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.526 ' HB2' ' HE2' ' A' ' 51' ' ' TYR . 59.6 tt0 -126.94 79.19 73.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 -175.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.56 -15.15 7.55 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.558 2.172 . . . . 0.0 112.114 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.83 100.76 4.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.221 -171.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.667 ' HA3' ' HG3' ' A' ' 93' ' ' GLN . . . 136.41 -178.97 18.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.871 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.43 -174.73 3.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.63 -163.57 12.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.421 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.7 m -147.64 131.82 17.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.22 0.208 . . . . 0.0 110.474 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.5 tp -112.7 124.53 52.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.524 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -120.75 155.81 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.6 ttm -94.64 165.91 12.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.6 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 11.9 p -54.92 -28.02 47.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.43 5.0 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.265 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.37 0.86 86.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.117 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -72.71 118.18 15.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.484 0.183 . . . . 0.0 110.812 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.15 130.95 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.81 149.59 21.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 95.4 mt -122.07 148.72 52.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.405 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.532 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.0 Cg_exo -65.4 128.48 20.38 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.84 2.36 . . . . 0.0 112.577 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 67.33 14.25 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.738 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.13 126.57 52.37 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 48' ' ' PHE . 20.9 tp -88.72 112.49 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.148 0.499 . . . . 0.0 111.266 -172.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -106.93 149.95 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.29 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.42 149.94 19.31 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.255 1.97 . . . . 0.0 112.621 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.715 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.9 mt -99.04 122.33 52.8 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.084 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.18 6.02 5.87 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.998 2.465 . . . . 0.0 113.544 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.97 179.25 48.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.386 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 35' ' ' GLN . 25.7 mt-10 -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.171 0.51 . . . . 0.0 109.949 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 34.7 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.197 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -71.77 151.38 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.345 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -120.62 136.09 54.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.9 mt -104.17 140.4 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.663 0.268 . . . . 0.0 110.644 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.6 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 66.3 m-85 -110.65 101.53 10.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 69.0 t80 -96.83 128.1 43.46 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.571 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.7 m -106.8 125.6 51.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.798 0.332 . . . . 0.0 110.771 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -99.01 133.76 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.71 10.11 10.92 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 t -164.63 -172.58 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -130.2 7.39 5.02 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.41 177.31 8.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.617 -0.677 . . . . 0.0 111.315 -176.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -75.7 127.53 33.24 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.882 0.373 . . . . 0.0 111.52 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.667 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 6.9 tt0 -129.59 146.8 51.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.371 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -128.7 114.52 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.253 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.1 t -120.13 128.39 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.746 0.307 . . . . 0.0 111.396 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.3 111.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.6 t -104.16 116.39 47.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.533 ' HD2' HD13 ' A' ' 106' ' ' LEU . 86.5 m-85 -103.03 125.19 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 61.8 m-85 -109.5 111.76 23.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 171.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.77 146.28 39.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -172.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -114.35 178.84 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.608 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -71.5 -18.95 62.26 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.472 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 87.5 t80 -79.51 -20.52 47.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 0.0 110.31 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.4 1.18 43.94 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.572 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -78.1 114.42 16.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.533 HD13 ' HD2' ' A' ' 98' ' ' TYR . 3.4 pp -117.72 139.29 51.24 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.207 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.467 ' HG3' HD12 ' A' ' 15' ' ' ILE . 14.9 mm100 -109.2 109.55 20.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -95.96 116.15 28.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.659 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.407 HD12 ' HE2' ' A' ' 99' ' ' PHE . 73.5 mt -105.22 120.18 40.89 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.439 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.2 m -92.84 114.97 27.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.073 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -109.75 119.46 39.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.2 t -92.51 107.78 19.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 121.331 0.586 . . . . 0.0 111.639 -174.692 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.709 0.29 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.5 t -119.5 128.04 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.006 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 36' ' ' LEU . 54.8 mt -92.34 119.98 40.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -94.52 141.87 28.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -125.53 141.48 52.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.905 0.383 . . . . 0.0 111.295 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.478 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.1 mpt? -77.78 130.68 72.63 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.716 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -59.18 144.04 99.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.207 2.605 . . . . 0.0 112.863 -175.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.31 155.28 63.29 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.446 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.83 151.29 74.19 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.423 2.082 . . . . 0.0 111.307 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -89.2 9.83 24.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.913 0.387 . . . . 0.0 110.007 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -135.91 111.91 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 30' ' ' ALA . 32.2 mt -133.83 131.31 39.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.286 0.565 . . . . 0.0 111.299 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 4.6 ttmp? -92.41 153.84 18.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.083 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.24 123.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.65 66.14 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.726 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 29.5 tt0 -94.16 154.75 17.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -113.42 142.28 46.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -125.8 119.24 27.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.937 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 9.4 pt-20 -81.74 103.84 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.794 0.807 . . . . 0.0 111.072 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -84.05 99.51 6.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.278 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.441 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 28.1 mtp180 -76.07 133.76 40.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.247 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 m -130.47 127.39 39.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.909 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.499 ' HG3' HG22 ' A' ' 80' ' ' THR . 48.4 tt0 -127.26 112.55 15.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.082 0.468 . . . . 0.0 110.364 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . 8.0 tt -78.89 124.5 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.795 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -75.57 113.32 12.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.193 0.52 . . . . 0.0 109.929 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.362 -171.851 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -87.16 131.15 34.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 10.9 m-85 -103.05 130.0 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 73' ' ' LEU . 95.9 m-85 -119.85 148.32 43.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.93 0.395 . . . . 0.0 111.319 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.45 ' HB ' HD21 ' A' ' 76' ' ' LEU . 11.0 tt -121.07 138.08 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -155.07 112.81 3.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.459 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -110.4 161.44 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.297 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -130.36 136.39 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.298 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -124.63 111.63 27.67 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.279 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.606 ' HD2' ' O ' ' A' ' 94' ' ' THR . 39.3 Cg_exo -61.95 -31.69 84.48 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.498 2.132 . . . . 0.0 111.448 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.86 160.55 32.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.673 175.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -111.11 8.12 29.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.276 -0.964 . . . . 0.0 114.133 -172.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.69 104.41 4.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.951 0.876 . . . . 0.0 112.222 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.3 154.92 15.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 m -140.36 112.52 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.564 0.682 . . . . 0.0 111.47 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 83' ' ' LEU . 57.2 tp -98.4 126.29 43.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HE2' HG22 ' A' ' 67' ' ' VAL . 96.2 mttt -116.59 153.5 32.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.04 0.447 . . . . 0.0 110.62 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.5 ttm -88.29 160.34 17.7 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.68 ' HB3' ' HG3' ' A' ' 82' ' ' ARG . 3.2 p -48.87 -34.0 11.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.13 -23.35 62.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.374 . . . . 0.0 111.521 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.82 -6.08 25.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.781 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.8 m -64.23 120.05 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.099 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.426 HG22 ' HE2' ' A' ' 61' ' ' LYS . 96.6 t -76.97 125.68 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.5 mt -95.24 126.41 40.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -94.52 146.05 30.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 26.3 Cg_endo -62.98 140.81 81.18 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.38 2.054 . . . . 0.0 111.864 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 88.8 m-20 73.6 -5.79 1.92 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.622 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.83 156.99 16.35 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 48' ' ' PHE . 28.3 tp -111.71 125.9 54.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.067 0.461 . . . . 0.0 110.999 -173.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.4 m-85 -125.77 144.83 49.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.277 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.8 Cg_exo -82.03 142.16 12.2 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.829 2.353 . . . . 0.0 112.063 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.45 HD21 ' HB ' ' A' ' 49' ' ' ILE . 96.9 mt -83.66 142.96 43.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.26 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.1 -8.39 22.76 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.8 2.333 . . . . 0.0 113.481 -175.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.01 34.81 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.97 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.59 -38.86 87.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.371 . . . . 0.0 111.119 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.499 HG22 ' HG3' ' A' ' 35' ' ' GLN . 11.5 p -107.08 116.5 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -155.07 -174.22 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.68 ' HG3' ' HB3' ' A' ' 63' ' ' SER . 3.3 ptp85 -147.82 144.89 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.948 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.419 ' HB3' HD11 ' A' ' 60' ' ' LEU . 95.8 mt -110.78 119.54 39.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.075 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 82.1 m-85 -87.33 97.62 10.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.85 0.357 . . . . 0.0 110.195 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -80.67 123.84 28.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.298 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.2 m -98.84 110.13 22.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.157 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 8.6 m -72.8 110.17 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.198 -175.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.03 -16.68 24.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.1 m -136.76 143.02 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.644 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.8 m -105.37 -2.05 24.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -69.27 176.62 3.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.986 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 34.3 tt0 -75.02 102.3 4.79 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.454 0.645 . . . . 0.0 110.382 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 112' ' ' SER . 18.1 pt20 -117.15 148.39 41.62 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.259 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.606 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 28.3 m -124.73 118.83 27.31 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.003 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.64 123.68 72.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.035 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -109.54 111.28 22.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.2 t -103.34 122.26 55.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -100.99 125.15 47.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.929 0.395 . . . . 0.0 110.429 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 90.2 m-85 -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 29.0 pt20 -131.73 143.09 50.0 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -133.7 172.19 13.11 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.466 -178.072 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -75.65 -11.52 60.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.75 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.5 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 53.0 t80 -78.38 -24.18 46.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.118 0.485 . . . . 0.0 109.805 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.46 6.83 12.82 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.986 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 37.7 tt0 -70.8 135.05 47.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 99' ' ' PHE . 54.3 tp -146.03 114.3 6.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.72 129.08 47.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.239 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.51 113.64 27.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.254 0.549 . . . . 0.0 110.014 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.405 HD12 ' HE2' ' A' ' 99' ' ' PHE . 61.2 mt -103.93 109.29 20.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.355 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -103.43 113.69 27.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.203 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -119.85 128.69 53.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 110.989 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 7.8 p -122.71 141.18 52.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.579 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.541 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 80.6 m-85 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' HE1' ' HB3' ' A' ' 105' ' ' GLN . 6.4 p90 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p -119.22 133.79 55.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 110.956 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.9 mt -102.98 115.49 45.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.049 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -85.73 115.58 23.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.843 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.428 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.6 p -108.25 121.85 45.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.665 0.269 . . . . 0.0 110.975 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.24 135.04 94.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.512 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.12 116.1 2.81 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.067 2.511 . . . . 0.0 112.421 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -79.74 162.79 61.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.985 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.16 125.82 15.93 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.202 1.935 . . . . 0.0 111.211 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.59 -27.06 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.019 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -103.51 113.05 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.835 0.35 . . . . 0.0 110.229 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.1 mt -132.05 152.94 50.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.105 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 87' ' ' SER . 99.6 mttt -122.86 166.09 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.86 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' A' ' 88' ' ' ALA . 59.9 t -67.57 111.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.02 -10.26 24.98 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.165 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 86' ' ' THR . 65.2 mm-40 -83.93 141.46 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.529 0.204 . . . . 0.0 110.542 178.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.3 m -113.9 123.18 49.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.27 126.59 52.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.432 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -86.1 99.55 11.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 39.5 mt -88.25 99.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.633 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.6 ttt180 -86.54 123.54 31.85 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.968 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 30.6 m -116.93 126.39 52.88 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -110.92 112.32 24.07 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 115.76 21.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -82.42 118.86 23.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.137 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.585 ' HD3' ' OH ' ' A' ' 47' ' ' TYR . 20.9 mtm180 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.106 0.479 . . . . 0.0 111.881 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -83.53 107.08 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.978 0.418 . . . . 0.0 110.836 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.857 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 67.5 m-85 -98.45 145.12 27.07 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 173.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.645 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 60.5 m-85 -121.67 135.27 54.97 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.652 0.263 . . . . 0.0 111.111 -174.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.86 135.02 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.304 0.573 . . . . 0.0 111.297 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HD2' HD12 ' A' ' 73' ' ' LEU . 2.9 ptm180 -153.18 137.9 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 172.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.3 p90 -111.8 144.43 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.504 -176.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -120.63 144.42 48.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -133.13 103.24 12.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.84 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.483 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.9 Cg_exo -59.55 -47.16 17.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.957 1.772 . . . . 0.0 110.318 173.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.41 122.69 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.988 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.474 ' HA3' ' HB2' ' A' ' 93' ' ' GLN . . . 148.67 174.1 20.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.539 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.5 127.55 4.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 111.248 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.522 ' HA3' ' CE1' ' A' ' 85' ' ' TYR . . . -169.9 165.98 39.27 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.822 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.442 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 33.7 m -103.81 111.6 24.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' ' 83' ' ' LEU . 42.6 tp -106.43 119.2 38.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.391 . . . . 0.0 110.416 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.63 145.38 43.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.181 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.4 ttp -83.91 157.78 21.83 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.454 ' HB2' ' H ' ' A' ' 82' ' ' ARG . 22.7 t -47.37 -31.61 4.15 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.77 -12.02 59.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.866 0.365 . . . . 0.0 111.0 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.57 -7.75 30.13 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -66.68 119.85 12.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.899 0.381 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.7 t -73.49 121.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.443 HD12 ' HG ' ' A' ' 60' ' ' LEU . 70.8 mt -89.68 117.58 28.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.347 -175.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.26 147.23 40.02 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.011 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 -5.36 13.59 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.925 2.416 . . . . 0.0 112.26 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -75.06 -29.76 60.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -127.05 173.42 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.628 0.727 . . . . 0.0 112.014 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.516 HD12 ' HD2' ' A' ' 50' ' ' ARG . 6.5 tt -127.41 132.61 50.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.195 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 98.8 m-85 -118.43 150.59 48.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.423 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 7.7 Cg_endo -89.1 132.64 2.31 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.411 2.741 . . . . 0.0 112.963 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.857 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 93.4 mt -80.68 127.68 74.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.317 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.83 -36.52 2.04 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.695 2.263 . . . . 0.0 114.042 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.69 176.94 22.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.236 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 2.9 mp0 -68.26 -37.26 80.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.211 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.0 t -97.81 93.06 6.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 110.42 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 17.5 p90 -112.88 131.61 55.65 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.36 0.6 . . . . 0.0 110.068 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.454 ' H ' ' HB2' ' A' ' 63' ' ' SER . 53.4 mtm-85 -110.47 125.64 53.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 60' ' ' LEU . 80.1 mt -102.19 115.35 30.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -90.0 100.72 13.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.045 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.522 ' CE1' ' HA3' ' A' ' 58' ' ' GLY . 84.6 t80 -99.47 110.36 22.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.004 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.442 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 45.6 m -92.6 113.91 26.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.315 172.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 17.8 m -65.34 135.68 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.909 -175.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -124.74 6.8 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -139.79 168.24 20.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.353 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -125.89 -23.54 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.23 165.72 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -56.34 111.98 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.441 0.463 . . . . 0.0 111.16 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.474 ' HB2' ' HA3' ' A' ' 56' ' ' GLY . 23.3 pt20 -119.36 151.08 39.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.248 0.547 . . . . 0.0 110.945 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.483 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 61.4 m -130.7 116.62 18.29 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.26 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -116.67 107.34 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.329 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 11.5 p-10 -103.44 113.28 26.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.7 0.762 . . . . 0.0 110.523 177.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 40.5 t -94.41 135.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.637 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.531 ' HB3' HD11 ' A' ' 106' ' ' LEU . 27.8 m-85 -104.51 121.16 42.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.68 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.408 ' HE2' HD12 ' A' ' 109' ' ' LEU . 73.0 m-85 -109.87 126.32 53.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.929 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.645 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 64.6 tt0 -122.72 154.63 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -125.4 178.26 5.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.894 0.378 . . . . 0.0 111.031 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.8 m -77.54 -7.66 56.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.621 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.22 -14.31 44.29 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.28 14.8 29.58 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.052 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 15.0 mm-40 -86.42 144.23 27.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 98' ' ' TYR . 31.5 tp -136.53 115.78 12.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.78 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -125.77 124.69 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.984 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 27.6 pt20 -105.3 142.45 35.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.491 . . . . 0.0 110.892 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.408 HD12 ' HE2' ' A' ' 99' ' ' PHE . 89.7 mt -120.54 118.5 30.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.551 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 12.1 m -95.05 116.06 28.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.171 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -109.33 119.66 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 57.7 p -92.65 117.83 30.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -176.359 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 97.8 m-85 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.875 0.369 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 t -150.14 170.54 18.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.392 -176.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.572 HG12 ' HA ' ' A' ' 36' ' ' LEU . 35.1 mt -132.44 133.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.998 0.427 . . . . 0.0 110.787 -175.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.32 150.98 22.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.418 HG22 ' SG ' ' A' ' 34' ' ' CYS . 19.6 p -130.69 157.44 42.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.847 0.356 . . . . 0.0 111.416 -174.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.414 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 65.3 mtt -94.04 124.4 56.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 57.3 Cg_exo -53.35 135.98 61.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.383 2.722 . . . . 0.0 113.649 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG11 HG12 ' A' ' 32' ' ' ILE . 35.5 m -95.63 165.86 15.77 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.106 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -61.18 151.95 75.26 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.762 2.308 . . . . 0.0 111.583 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -97.13 -17.26 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.749 -176.601 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -137.44 118.71 14.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD23 ' HG3' ' A' ' 28' ' ' GLU . 5.1 mp -125.08 169.12 12.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.35 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -90.94 161.04 15.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.031 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.29 112.69 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.72 -8.99 25.83 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' HG3' HD23 ' A' ' 24' ' ' LEU . 12.4 tp10 -82.51 143.94 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -124.95 121.43 34.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.034 0.445 . . . . 0.0 110.902 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.504 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -96.1 126.85 41.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.404 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.93 101.98 14.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 0.0 110.623 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.534 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 23.4 mt -83.52 98.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -83.12 120.23 25.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 17' ' ' THR . 31.9 m -117.65 134.47 54.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.946 -172.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.473 ' OE1' HG23 ' A' ' 80' ' ' THR . 15.2 mm100 -122.86 121.5 36.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HA ' HG12 ' A' ' 15' ' ' ILE . 1.1 tp -82.36 138.57 34.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.429 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 83.6 t60 -90.66 102.96 15.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.865 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 23.3 tpp180 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.51 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.37 142.1 28.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.438 0.637 . . . . 0.0 111.858 -169.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.693 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 25.5 m-85 -98.63 128.21 44.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.303 -177.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.521 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 97.6 m-85 -119.64 123.44 43.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.97 0.414 . . . . 0.0 110.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.8 tt -109.74 139.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.66 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.533 ' HB2' HD23 ' A' ' 73' ' ' LEU . 15.8 ttp180 -154.46 134.71 13.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.301 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -108.19 150.42 27.28 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.97 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -105.15 132.45 51.36 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' NE2' ' HB3' ' A' ' 57' ' ' ALA . 5.8 tp60 -117.89 83.03 17.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.68 -175.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -83.82 -16.17 6.67 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.588 2.192 . . . . 0.0 111.92 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -118.27 160.62 21.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.417 -171.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.37 77.49 2.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.154 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HA ' ' HG2' ' A' ' 93' ' ' GLN . . . -106.15 -159.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.463 0.173 . . . . 0.0 111.036 -178.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.73 -146.59 18.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.488 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 m -105.08 141.07 37.3 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.235 0.214 . . . . 0.0 111.068 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -117.12 117.88 30.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -113.67 152.63 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.566 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.404 ' SD ' ' HB ' ' A' ' 66' ' ' THR . 62.1 mtp -86.81 163.65 17.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.992 176.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.452 ' HB2' ' H ' ' A' ' 82' ' ' ARG . 13.2 t -53.6 -28.04 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 110.999 175.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.97 -14.21 61.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.46 6.98 69.97 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -172.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.404 ' HB ' ' SD ' ' A' ' 62' ' ' MET . 63.5 m -80.76 130.49 35.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.573 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.1 t -85.07 127.64 39.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 0.0 110.176 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.5 mt -86.43 142.72 28.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.569 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -113.35 133.53 22.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.21 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.02 62.3 8.48 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.695 2.263 . . . . 0.0 113.196 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -155.59 -51.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.169 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.17 175.44 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.533 HD23 ' HB2' ' A' ' 50' ' ' ARG . 93.2 mt -101.68 129.35 47.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 111.629 -174.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 37.7 m-85 -105.76 132.59 20.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.573 176.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 14.1 Cg_exo -69.98 129.84 18.06 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 111.929 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.693 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 78.7 mt -71.91 143.91 87.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.294 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.87 -15.42 50.31 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.849 2.366 . . . . 0.0 112.293 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.49 -147.36 9.82 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.087 -0.578 . . . . 0.0 111.785 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -121.17 -5.57 9.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.523 . . . . 0.0 110.526 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.473 HG23 ' OE1' ' A' ' 35' ' ' GLN . 51.7 m -120.96 103.99 9.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 169.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -152.99 172.73 16.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 111.632 -173.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' H ' ' HB2' ' A' ' 63' ' ' SER . 0.1 OUTLIER -123.07 145.83 48.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.024 177.123 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.534 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.8 mt -114.55 118.4 33.64 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -94.8 104.58 16.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.119 0.485 . . . . 0.0 110.971 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.476 ' OH ' ' HB1' ' A' ' 57' ' ' ALA . 88.5 t80 -94.11 112.19 23.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.2 m -92.11 111.62 23.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.092 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.6 t -66.88 109.35 2.89 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.65 11.28 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.948 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -122.24 142.29 50.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.176 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 p -86.82 -21.47 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.642 0.734 . . . . 0.0 109.571 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -86.37 172.57 10.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.912 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.59 144.19 52.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' A' ' 57' ' ' ALA . 47.3 mt-30 -121.2 123.77 43.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.995 0.426 . . . . 0.0 111.149 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 m -122.87 120.27 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.216 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.37 128.07 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.58 0.229 . . . . 0.0 111.112 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -102.43 112.36 25.05 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.389 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.37 123.31 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.732 0.301 . . . . 0.0 110.772 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.41 127.52 54.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.417 ' HE2' HD12 ' A' ' 109' ' ' LEU . 98.2 m-85 -110.24 116.73 32.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -113.35 130.71 56.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.07 0.462 . . . . 0.0 111.101 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.599 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 12.1 t70 -109.28 143.78 38.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.318 177.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 p -74.44 -4.34 36.03 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -79.51 -9.87 59.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.519 0.676 . . . . 0.0 109.742 174.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.66 23.95 6.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.186 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 86.4 mm-40 -103.82 140.8 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.763 0.316 . . . . 0.0 110.444 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -140.86 115.93 9.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -113.75 133.53 55.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.82 125.02 48.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.018 0.437 . . . . 0.0 110.638 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.417 HD12 ' HE2' ' A' ' 99' ' ' PHE . 70.6 mt -117.9 111.52 19.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.093 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 m -91.75 119.52 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.308 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.18 117.95 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.929 0.395 . . . . 0.0 110.072 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 m -124.45 118.5 26.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.447 -178.511 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.499 ' HD1' ' HA ' ' A' ' 38' ' ' ARG . 92.6 m-85 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.9 t -116.72 135.26 53.91 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.7 mt -111.83 125.98 69.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 110.628 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.05 135.85 44.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.92 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.1 p -125.04 138.47 54.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.956 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 33' ' ' ARG . 1.3 mpt? -77.75 134.3 65.24 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 177.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 35.3 Cg_exo -60.82 159.87 27.34 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.267 2.645 . . . . 0.0 113.105 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.417 HG21 ' HE1' ' A' ' 113' ' ' PHE . 22.1 m -115.98 165.55 14.45 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.909 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.77 147.17 74.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.603 2.202 . . . . 0.0 112.096 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -80.08 2.18 24.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.636 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -141.93 123.27 14.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.0 mt -136.9 115.7 12.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.375 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -109.49 -179.87 3.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.522 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' ' 89' ' ' SER . 23.3 t -64.8 121.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.05 0.452 . . . . 0.0 111.177 -175.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.15 -3.69 51.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.536 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.98 145.18 24.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.785 0.326 . . . . 0.0 110.401 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -117.1 115.74 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.57 116.51 28.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.192 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -87.22 100.62 12.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.208 0.528 . . . . 0.0 110.153 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -95.04 99.76 9.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.488 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HB2' ' SD ' ' A' ' 18' ' ' MET . 67.4 mtt180 -82.01 124.19 29.57 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.741 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 17' ' ' THR . 39.2 m -117.79 126.38 52.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.33 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 27.4 tt0 -131.17 113.53 13.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.178 0.513 . . . . 0.0 111.057 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -83.58 116.71 22.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -84.83 109.7 18.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.987 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.504 ' HG3' ' CG ' ' A' ' 79' ' ' GLU . 5.8 mmm180 . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.998 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.695 0.283 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -82.5 117.12 22.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.339 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB2' HD12 ' A' ' 76' ' ' LEU . 33.5 m-85 -98.16 134.57 41.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 73' ' ' LEU . 94.6 m-85 -115.4 140.63 48.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -177.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.447 HG12 ' CE2' ' A' ' 51' ' ' TYR . 14.5 tt -115.92 129.77 71.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -135.88 134.28 38.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.676 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -127.47 105.76 8.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.826 0.346 . . . . 0.0 110.647 -169.325 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.6 116.02 28.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -104.43 103.49 39.65 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.1 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.95 -46.46 19.34 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.595 2.197 . . . . 0.0 111.587 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -154.82 120.79 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.829 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.24 169.79 30.31 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.674 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.16 98.29 3.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.07 173.23 29.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.74 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.7 m -125.16 113.35 17.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.839 0.352 . . . . 0.0 110.247 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.812 ' HG ' HD12 ' A' ' 68' ' ' LEU . 50.1 tp -104.44 119.68 39.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 0.0 110.365 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 47.9 mtmt -124.61 149.77 46.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.412 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.6 ttm -85.0 153.27 22.86 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.574 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 5.5 p -53.27 -28.1 26.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 112.033 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.65 19.12 5.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.94 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.37 -1.04 88.64 Favored Glycine 0 C--N 1.334 0.457 0 CA-C-N 115.679 -0.692 . . . . 0.0 113.502 172.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 m -74.45 116.84 15.59 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.716 -0.284 . . . . 0.0 110.916 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.6 t -78.07 118.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 109.806 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.812 HD12 ' HG ' ' A' ' 60' ' ' LEU . 56.1 mt -92.07 117.86 30.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.702 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 94.6 mt -105.35 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.249 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.428 ' HA ' ' HD1' ' A' ' 51' ' ' TYR . 71.5 Cg_exo -52.47 -40.71 71.06 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 123.435 2.757 . . . . 0.0 113.952 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -92.26 16.05 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.382 0.61 . . . . 0.0 110.719 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.75 173.26 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.94 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 48' ' ' PHE . 48.5 tp -137.53 122.61 19.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.668 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HD2' ' OH ' ' A' ' 51' ' ' TYR . 82.7 m-85 -120.37 141.25 31.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.669 0.271 . . . . 0.0 111.247 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.37 141.27 15.86 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.615 2.21 . . . . 0.0 111.38 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -74.93 144.54 79.79 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.55 -35.96 35.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.03 2.487 . . . . 0.0 112.314 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.38 -155.69 13.78 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.501 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.504 ' CG ' ' HG3' ' A' ' 38' ' ' ARG . 2.2 mp0 -64.32 -49.33 72.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.727 0.298 . . . . 0.0 111.525 -178.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.445 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 12.9 t -112.31 137.71 50.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 0.0 110.887 -175.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -154.98 169.3 24.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.971 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.574 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 0.2 OUTLIER -128.2 132.02 48.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -176.737 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.542 ' HB3' HD11 ' A' ' 60' ' ' LEU . 81.6 mt -109.11 122.22 46.82 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -97.62 103.21 15.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -88.19 101.94 14.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.751 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 m -89.08 110.61 21.31 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.702 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 m -73.39 108.15 6.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.489 . . . . 0.0 110.751 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.63 6.4 47.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.484 0.659 . . . . 0.0 109.77 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.418 ' HA ' HG22 ' A' ' 26' ' ' VAL . 45.8 t -155.51 159.32 39.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.24 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.6 t -118.57 9.67 12.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.329 0.585 . . . . 0.0 109.771 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -83.09 -167.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.165 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -73.29 115.43 12.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.653 ' HG3' ' HB2' ' A' ' 113' ' ' PHE . 9.7 pt20 -131.72 115.44 16.02 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.455 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 m -114.0 125.03 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.778 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -128.81 116.53 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.406 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.8 111.25 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.21 112.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.157 0.503 . . . . 0.0 110.441 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -101.52 129.58 47.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.402 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.84 112.61 24.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 16.6 pt20 -109.02 128.95 55.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.576 0.703 . . . . 0.0 110.94 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 11.2 t70 -83.45 168.38 16.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.76 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 t -74.59 -18.38 60.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -79.31 -14.41 59.02 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.743 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.68 4.65 52.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.69 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.409 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 0.7 OUTLIER -69.25 122.64 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.795 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.72 116.49 29.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -175.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -110.53 146.31 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 136.4 45.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.929 0.395 . . . . 0.0 111.465 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.8 mt -128.87 112.52 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 m -92.49 119.01 31.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.975 0.417 . . . . 0.0 111.066 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.68 118.82 37.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.902 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 m -122.49 111.87 17.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.85 0.357 . . . . 0.0 110.491 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.653 ' HB2' ' HG3' ' A' ' 93' ' ' GLN . 76.9 m-85 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 -177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 26.2 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -99.22 132.53 44.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.766 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -110.93 111.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 0.0 110.371 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -101.91 116.16 32.1 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.745 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.3 p -92.36 136.77 32.93 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.401 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.9 mtt -68.98 135.62 89.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.9 107.77 0.17 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.251 2.634 . . . . 0.0 113.185 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.37 155.11 76.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.915 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.78 131.26 28.63 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.705 2.27 . . . . 0.0 111.899 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -85.32 6.55 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.61 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -144.08 124.96 14.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.361 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 28' ' ' GLU . 6.9 tp -146.82 129.83 16.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.648 0.261 . . . . 0.0 110.522 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HB2' ' HG3' ' A' ' 28' ' ' GLU . 67.5 mttm -78.63 167.35 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.291 0.567 . . . . 0.0 111.466 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' ' 88' ' ' ALA . 47.4 t -68.44 118.1 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.041 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.48 -19.52 28.86 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.563 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.616 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . 25.8 mt-10 -73.12 139.84 46.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.4 . . . . 0.0 110.257 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -116.99 117.52 29.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.524 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.9 126.2 52.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.379 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -85.56 103.41 14.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.462 0.648 . . . . 0.0 110.573 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.68 99.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.517 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -83.36 116.31 22.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.325 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.66 131.06 55.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.099 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -111.23 111.05 21.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.354 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 10.6 tt -97.07 121.43 38.94 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -85.26 101.01 12.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ttp180 . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.517 HG23 ' OD2' ' A' ' 101' ' ' ASP . 25.0 m . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 121.165 0.507 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -104.54 152.97 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 12.4 m-85 -98.9 135.87 39.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.052 -171.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -123.74 142.72 50.82 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.875 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.711 HD11 ' HE1' ' A' ' 51' ' ' TYR . 17.6 tt -109.45 129.39 64.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.441 0.639 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.81 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 23.9 tpt180 -125.33 140.66 52.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.322 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.711 ' HE1' HD11 ' A' ' 49' ' ' ILE . 3.5 m-85 -131.09 148.76 52.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.827 0.346 . . . . 0.0 111.16 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -141.14 125.8 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.188 173.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -121.32 102.41 42.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.092 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.684 ' HD2' ' O ' ' A' ' 94' ' ' THR . 50.2 Cg_exo -54.69 -34.4 83.72 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.889 2.392 . . . . 0.0 111.809 173.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.717 ' HB3' ' HG3' ' A' ' 93' ' ' GLN . 31.3 t70 -86.18 -81.56 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.86 -4.05 32.09 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.869 170.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.22 97.7 8.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 110.879 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.96 172.01 33.72 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.468 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -124.69 121.86 35.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.7 tp -123.17 123.38 40.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.692 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -128.27 146.32 50.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.113 0.483 . . . . 0.0 110.831 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.8 ttm -75.17 162.32 28.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.238 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.3 t -51.07 -31.45 18.94 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -87.97 6.35 36.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.679 0.275 . . . . 0.0 111.71 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.26 -16.82 60.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.803 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -58.68 115.28 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.658 0.266 . . . . 0.0 111.017 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.42 133.18 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.794 0.33 . . . . 0.0 110.184 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.479 HD11 HD22 ' A' ' 83' ' ' LEU . 79.3 mt -101.5 101.9 12.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.592 -177.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 91.5 mt -105.14 142.9 25.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.983 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 6.2 Cg_exo -73.92 26.94 0.33 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.264 2.643 . . . . 0.0 113.467 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -111.24 -50.96 2.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -101.1 175.07 5.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.314 0.578 . . . . 0.0 111.74 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.3 tp -111.97 134.3 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.78 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 88.8 m-85 -123.48 144.75 44.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.649 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.4 Cg_exo -80.29 144.22 16.18 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.983 2.455 . . . . 0.0 112.509 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.618 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.8 mt -86.02 147.83 46.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.993 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.75 -51.8 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.111 2.541 . . . . 0.0 112.855 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.48 -141.14 3.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.443 ' HA ' ' HB3' ' A' ' 36' ' ' LEU . 3.3 mp0 -72.63 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.963 0.411 . . . . 0.0 111.357 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -105.98 125.2 50.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.653 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -146.74 156.95 43.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.557 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 82' ' ' ARG . 13.9 ptp180 -117.65 140.89 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.662 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 68' ' ' LEU . 52.0 mt -120.41 119.09 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.653 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -87.42 109.12 19.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 0.0 111.268 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 87' ' ' SER . 68.0 t80 -99.98 105.93 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.12 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.2 m -94.05 107.93 19.81 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.333 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.578 ' HB2' HD23 ' A' ' 24' ' ' LEU . 18.6 t -79.66 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 -176.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.593 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -120.53 13.01 11.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.435 0.636 . . . . 0.0 109.393 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.518 ' HB2' HE21 ' A' ' 93' ' ' GLN . 6.7 t -87.0 143.85 27.16 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.007 -177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -89.6 -13.76 36.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.427 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -147.56 -160.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -59.42 114.01 2.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.152 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.717 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 7.3 tt0 -106.45 123.2 47.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.405 174.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.684 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 14.0 m -88.61 120.37 29.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.149 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.51 106.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.721 0.296 . . . . 0.0 110.47 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.41 111.2 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.185 0.517 . . . . 0.0 110.16 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.563 HG22 ' CE2' ' A' ' 51' ' ' TYR . 18.5 t -100.86 134.49 40.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.209 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.81 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 78.6 m-85 -123.88 119.78 30.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.187 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -109.27 112.39 24.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 3.2 pt20 -121.01 161.68 21.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.833 0.349 . . . . 0.0 110.769 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.517 ' OD2' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -141.91 162.42 35.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 179.374 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.2 t -71.54 -18.86 62.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.663 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.443 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 92.1 t80 -79.24 -24.29 43.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.999 0.428 . . . . 0.0 110.304 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.41 13.9 5.09 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.346 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 46.1 tp60 -80.2 134.92 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.016 0.408 . . . . 0.0 110.055 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 100' ' ' GLN . 65.8 tp -141.97 116.43 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.051 0.453 . . . . 0.0 110.114 176.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -108.77 115.89 30.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.498 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.98 110.92 23.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.1 mt -119.18 125.34 48.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.951 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.2 m -112.71 119.6 38.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.0 140.53 45.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.349 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 t -113.6 108.94 17.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.123 0.487 . . . . 0.0 110.537 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 C--N 1.321 -0.651 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.614 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.533 ' HD1' ' HG2' ' A' ' 105' ' ' GLN . 76.1 m-85 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.488 ' HB3' ' CG ' ' A' ' 37' ' ' HIS . 12.6 t -141.03 110.1 6.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.943 0.401 . . . . 0.0 110.24 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.1 mp -108.43 106.23 20.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -101.22 155.17 18.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.644 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 p -118.79 162.49 18.38 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.931 0.396 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ptm -86.38 141.28 34.48 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -45.72 115.3 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.17 2.58 . . . . 0.0 112.905 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.15 151.77 52.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 167.51 24.13 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.651 2.234 . . . . 0.0 111.598 175.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -108.17 9.58 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.649 0.261 . . . . 0.0 111.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -164.11 158.08 18.87 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.696 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 30' ' ' ALA . 95.1 mt -142.73 169.11 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.451 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -123.99 165.51 17.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.766 0.317 . . . . 0.0 110.797 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.89 112.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.39 0.31 58.21 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.963 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 86' ' ' THR . 9.0 tp10 -84.97 141.43 30.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.2 m -117.44 114.63 23.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.9 0.381 . . . . 0.0 110.679 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -82.78 125.19 31.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.353 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -94.3 101.51 13.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.779 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -104.27 99.23 8.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -92.33 126.59 37.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.456 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.5 m -114.66 141.31 47.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.186 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.61 112.89 21.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 79' ' ' GLU . 5.0 tp -83.59 120.3 25.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.931 176.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.488 ' CG ' ' HB3' ' A' ' 14' ' ' SER . 18.3 m170 -78.06 103.44 7.99 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 109.912 175.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.327 -178.573 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 120.97 0.414 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -82.34 124.38 29.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -174.062 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.29 143.57 28.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HB3' HD11 ' A' ' 73' ' ' LEU . 94.1 m-85 -124.47 153.96 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 0.0 111.831 -173.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 98' ' ' TYR . 13.8 tt -134.09 139.16 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.225 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -139.64 161.86 36.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CE2' HD13 ' A' ' 68' ' ' LEU . 81.8 m-85 -134.22 165.45 25.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.444 0.64 . . . . 0.0 112.304 -174.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.453 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 71.7 t80 -154.35 110.72 3.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 108.45 169.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 19.7 pt20 -138.04 119.84 10.68 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 121.083 0.468 . . . . 0.0 111.147 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 16.7 Cg_exo -71.23 -22.14 25.99 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 123.459 2.772 . . . . 0.0 112.728 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.553 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 2.9 p-10 -68.9 124.11 22.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.36 0.6 . . . . 0.0 110.471 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.23 -22.89 9.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.325 -175.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . -95.38 87.19 4.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.373 0.587 . . . . 0.0 110.673 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.87 179.84 43.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.604 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -149.24 134.6 18.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.189 0.494 . . . . 0.0 110.609 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.6 tp -121.38 122.67 40.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.403 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -121.08 157.45 30.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.021 0.439 . . . . 0.0 110.724 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.471 ' HG2' ' N ' ' A' ' 63' ' ' SER . 43.7 ttm -90.32 168.89 11.55 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 171.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.82 ' HB3' ' HG2' ' A' ' 82' ' ' ARG . 2.7 p -54.91 -23.31 18.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.23 -19.75 56.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.068 0.461 . . . . 0.0 111.194 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.45 -6.31 52.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.393 -174.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -61.72 121.14 12.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.976 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.44 117.05 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 51' ' ' TYR . 39.0 mt -86.85 108.42 18.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.83 -173.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.9 mt -105.46 130.06 23.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.485 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.7 92.56 0.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.38 2.053 . . . . 0.0 112.015 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.49 -60.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.345 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.7 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.759 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 48' ' ' PHE . 43.3 tp -111.77 120.28 41.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -172.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -101.07 150.83 37.41 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.405 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -88.03 167.63 6.8 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.772 2.315 . . . . 0.0 112.586 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.3 mt -98.92 136.0 20.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.418 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -81.38 -0.15 10.31 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.753 2.302 . . . . 0.0 113.066 -177.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.01 -161.62 31.21 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.198 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.585 ' HG3' HD23 ' A' ' 36' ' ' LEU . 3.7 mp0 -88.81 -44.34 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.976 0.417 . . . . 0.0 111.289 -177.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -93.31 46.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -82.04 167.65 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.123 0.487 . . . . 0.0 111.132 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.82 ' HG2' ' HB3' ' A' ' 63' ' ' SER . 8.8 ptp85 -144.43 159.0 43.47 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -126.8 127.69 45.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.95 111.71 24.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.617 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.61 113.23 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.955 0.407 . . . . 0.0 110.84 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 23.0 m -97.55 118.67 34.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.837 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -87.81 138.68 31.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.382 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.64 10.22 13.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 111.025 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 34.0 m -117.02 177.44 4.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -67.52 -46.15 73.68 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.075 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -163.86 75.98 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 164.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.553 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 21.3 tp60 -111.02 104.1 12.63 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.353 175.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.506 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 52.1 tt0 -150.21 120.96 7.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.116 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -141.34 103.3 4.39 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.3 t -127.33 120.2 54.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.497 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 52' ' ' PHE . 13.6 m-20 -87.5 110.84 20.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 169.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.05 122.26 52.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.0 0.429 . . . . 0.0 110.394 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 34.2 m-85 -107.73 113.9 27.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.053 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HE2' HD12 ' A' ' 109' ' ' LEU . 87.8 m-85 -108.66 111.99 24.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.529 ' HB3' HD13 ' A' ' 106' ' ' LEU . 29.0 pt20 -125.27 140.88 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.969 0.89 . . . . 0.0 112.082 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.822 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -94.64 158.43 15.53 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.729 174.091 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.2 p -57.52 -27.07 62.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -93.37 -2.99 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.153 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.56 24.16 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.544 174.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.822 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 58.1 tp60 -74.52 104.39 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 100' ' ' GLN . 55.5 tp -116.87 124.43 49.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.881 0.372 . . . . 0.0 111.661 -174.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -110.82 110.07 20.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.521 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.96 117.09 29.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.42 HD12 ' HE2' ' A' ' 99' ' ' PHE . 38.4 mt -111.99 116.12 30.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.041 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.2 m -99.89 115.2 29.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.458 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.552 ' HB3' ' HE1' ' A' ' 113' ' ' PHE . 86.2 m-85 -114.5 118.11 32.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 6.5 m -124.09 112.12 16.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.552 ' HE1' ' HB3' ' A' ' 111' ' ' PHE . 1.6 m-85 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.946 -176.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.204 0.526 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.9 m -92.02 121.41 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.187 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.11 113.67 44.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.575 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -118.74 143.81 46.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.387 0.613 . . . . 0.0 111.272 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.3 p -114.94 141.58 47.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.5 mmt -72.95 154.41 90.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.577 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 147.64 46.15 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.211 2.608 . . . . 0.0 112.976 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -124.57 158.72 60.94 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -57.08 133.91 60.91 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.296 1.997 . . . . 0.0 111.306 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.32 -26.77 67.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.463 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -143.66 146.61 33.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 87' ' ' SER . 86.3 mt -121.38 163.76 18.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.356 -176.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -124.22 176.36 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.653 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.22 115.85 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.07 -16.33 30.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.76 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -71.78 124.96 25.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.421 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -99.82 105.66 17.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.852 0.358 . . . . 0.0 110.221 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.83 106.08 17.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.808 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.03 115.44 23.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 0.0 110.268 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 44.7 mt -103.09 100.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.382 176.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.1 ttt180 -69.0 114.26 7.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.62 127.38 53.6 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.34 113.03 13.27 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.225 0.536 . . . . 0.0 110.53 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -91.21 120.75 32.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.687 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -79.25 99.31 7.0 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.706 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.041 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.265 0.555 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -99.77 128.28 45.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.126 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 69.0 m-85 -107.37 127.84 53.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -174.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -119.57 122.42 41.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.747 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.6 tt -107.77 128.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 0.0 110.637 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -113.42 157.92 21.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.567 ' OH ' HD22 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -134.13 145.09 48.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.103 -174.629 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -142.24 126.77 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.838 174.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -126.67 107.79 22.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' O ' ' A' ' 94' ' ' THR . 27.5 Cg_exo -62.77 -39.6 41.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 111.21 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -83.78 -68.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.391 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.0 8.66 64.64 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-N 115.277 -0.874 . . . . 0.0 114.003 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.92 87.23 5.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.503 0.652 . . . . 0.0 110.732 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.49 150.59 6.31 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.558 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 26.7 m -98.31 113.97 26.1 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.607 ' HG ' HD12 ' A' ' 68' ' ' LEU . 52.0 tp -102.02 121.36 42.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.385 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HG2' HG22 ' A' ' 67' ' ' VAL . 47.4 mtmt -131.6 157.34 43.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.128 0.49 . . . . 0.0 111.792 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.411 ' HG2' ' H ' ' A' ' 63' ' ' SER . 43.2 ttm -95.65 166.74 11.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.169 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.458 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -57.88 -30.25 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.657 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.62 7.75 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.622 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.79 -7.38 82.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.246 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -61.71 117.08 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 122.357 0.263 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.475 HG22 ' HG2' ' A' ' 61' ' ' LYS . 64.2 t -78.28 124.35 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.607 HD12 ' HG ' ' A' ' 60' ' ' LEU . 55.6 mt -91.15 104.57 17.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.197 -172.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -91.31 129.44 43.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.397 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.489 ' O ' ' HB3' ' A' ' 71' ' ' ASN . 32.1 Cg_exo -60.31 177.02 0.64 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.208 2.605 . . . . 0.0 113.015 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 70' ' ' PRO . 20.6 t-20 75.42 -54.57 0.64 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.483 0.713 . . . . 0.0 111.159 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.51 161.33 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.0 pt? -129.25 118.82 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.517 . . . . 0.0 110.329 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HE2' ' HA ' ' A' ' 68' ' ' LEU . 13.2 m-30 -94.73 151.4 39.07 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.719 -174.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 43.9 Cg_endo -70.31 140.19 40.05 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.356 2.037 . . . . 0.0 111.652 174.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.1 mt -84.36 143.28 41.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.426 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.36 -40.49 24.69 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.766 2.311 . . . . 0.0 112.252 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.92 -147.68 9.17 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.713 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -71.06 -57.75 4.23 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.804 0.442 . . . . 0.0 111.403 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.0 p -100.6 117.51 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.106 0.479 . . . . 0.0 111.789 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -143.57 160.31 40.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.114 175.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.462 HH11 ' HD3' ' A' ' 82' ' ' ARG . 6.8 mmm180 -111.69 125.54 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -175.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.402 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 88.6 mt -101.14 113.95 27.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -101.15 105.43 16.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -97.93 110.7 23.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.361 0.6 . . . . 0.0 110.075 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 8.9 m -86.7 101.42 13.27 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.19 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.518 ' HB2' HD13 ' A' ' 24' ' ' LEU . 22.9 t -69.86 127.06 31.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.745 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.84 15.16 16.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.248 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 m -134.44 146.95 50.3 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.665 -175.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -110.44 -5.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.879 0.847 . . . . 0.0 109.044 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -88.26 -165.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.33 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -66.72 113.87 5.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.989 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -120.63 111.74 18.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.427 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 32.2 m -107.45 127.1 53.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.0 t -123.25 117.09 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.045 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -98.19 116.35 30.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.175 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -108.44 122.46 62.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -108.93 124.85 51.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.842 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.84 114.45 28.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -107.63 119.24 38.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 4.9 t70 -103.61 164.1 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.782 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.6 t -73.81 -16.76 61.14 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.402 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 62.3 m-85 -84.2 6.0 24.3 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.032 -0.418 . . . . 0.0 110.96 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.54 0.39 69.82 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.879 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.515 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 6.2 tp-100 -73.42 126.38 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 0.0 110.639 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.1 tp -126.36 115.27 19.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -110.15 111.33 22.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.357 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -99.43 112.36 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.275 0.559 . . . . 0.0 110.293 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.8 mt -101.48 113.08 25.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.451 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -97.92 113.99 25.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.973 0.416 . . . . 0.0 110.519 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -108.95 118.55 37.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -120.01 115.51 23.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.233 -177.392 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.5 m -128.62 130.91 47.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.066 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.659 HG13 HE22 ' A' ' 107' ' ' GLN . 53.5 mt -112.88 121.07 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.534 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.45 126.64 37.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.384 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.592 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 19.3 p -103.59 125.35 50.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.359 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.467 ' CG ' ' HB3' ' A' ' 33' ' ' ARG . 23.8 mmt -59.6 145.06 83.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.121 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -46.87 116.74 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.711 2.94 . . . . 0.0 113.098 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 HG12 ' A' ' 32' ' ' ILE . 31.7 m -80.62 144.16 56.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.6 140.33 68.05 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.808 2.339 . . . . 0.0 112.278 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -91.22 -17.09 26.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -119.45 115.91 25.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.832 0.348 . . . . 0.0 110.141 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -122.49 145.35 48.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.5 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HA ' HG22 ' A' ' 90' ' ' THR . 5.6 mptt -116.14 167.87 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.4 116.69 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.66 -0.53 59.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.688 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.02 145.68 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m -116.66 114.51 24.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.547 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 103.06 15.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.944 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.9 100.27 4.77 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 20' ' ' VAL . 39.0 mt -91.52 98.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.073 176.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 18' ' ' MET . 23.9 ttt180 -83.4 114.19 21.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.478 ' SG ' HG22 ' A' ' 17' ' ' THR . 36.6 m -106.98 127.1 53.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.468 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.743 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 28.7 tt0 -124.58 112.4 16.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.175 0.512 . . . . 0.0 110.843 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.6 tt -81.44 120.08 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.213 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -90.78 100.82 13.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.768 ' HE ' ' HG2' ' A' ' 79' ' ' GLU . 13.7 ptt180 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.645 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.405 HG23 ' HB2' ' A' ' 102' ' ' SER . 95.4 m . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 121.249 0.547 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.66 132.62 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.84 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -101.57 134.18 45.1 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -115.55 131.84 56.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.121 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -106.28 128.19 60.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 0.0 110.998 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -123.28 151.58 42.23 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -144.93 125.5 14.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.971 -172.126 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -115.3 117.82 31.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.903 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -119.46 90.73 43.16 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.39 -13.12 8.81 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.766 2.311 . . . . 0.0 112.202 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 8.6 t70 -143.47 134.73 25.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.545 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.89 179.09 33.32 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.041 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.27 113.78 5.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.869 0.366 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.68 134.75 3.5 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.199 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.8 m -86.95 112.08 21.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.903 0.383 . . . . 0.0 110.39 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.595 ' HG ' HD12 ' A' ' 68' ' ' LEU . 57.3 tp -89.93 133.68 34.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.93 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HE2' HG22 ' A' ' 67' ' ' VAL . 99.6 mttt -122.62 153.97 38.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.016 0.436 . . . . 0.0 110.789 177.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.8 ttm -88.71 159.32 17.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 4.5 p -57.57 -20.37 31.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.59 -22.52 50.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.021 0.438 . . . . 0.0 110.938 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.28 -7.47 24.89 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -60.61 118.92 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.313 -0.443 . . . . 0.0 111.011 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.416 HG22 ' HE2' ' A' ' 61' ' ' LYS . 87.6 t -80.22 125.17 38.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 178.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 70.3 mt -98.16 115.98 29.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.716 -174.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 92.8 mt -108.9 130.18 23.04 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.117 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 23.9 Cg_exo -62.85 86.81 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.045 2.497 . . . . 0.0 113.311 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -162.71 -52.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.15 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -115.41 -170.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.097 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.34 147.5 52.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -117.98 152.66 50.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.203 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.94 141.21 21.02 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.725 2.283 . . . . 0.0 112.171 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.73 123.06 66.09 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.926 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.72 16.5 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.86 2.373 . . . . 0.0 112.688 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.21 -175.84 47.18 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.768 ' HG2' ' HE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -101.93 -37.34 8.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.717 0.294 . . . . 0.0 110.72 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.743 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 5.6 t -102.12 106.96 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.425 0.631 . . . . 0.0 109.798 174.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -140.22 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.217 -173.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 38.1 mtt85 -113.49 138.68 49.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.303 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' A' ' 60' ' ' LEU . 86.8 mt -115.71 119.96 37.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 171.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -97.17 99.84 11.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.998 0.428 . . . . 0.0 110.718 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -92.55 104.51 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.488 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -85.17 109.52 18.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.123 0.487 . . . . 0.0 109.745 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -79.38 120.1 23.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.374 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.97 6.87 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.562 0.696 . . . . 0.0 109.135 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -133.37 144.49 49.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 25' ' ' LYS . 22.2 p -95.62 -18.94 20.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.251 0.548 . . . . 0.0 111.029 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.27 -164.49 1.19 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.221 -173.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -63.39 129.8 41.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.258 0.551 . . . . 0.0 110.871 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -119.95 121.26 38.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.83 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 55' ' ' ASP . 30.7 m -102.87 106.36 16.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.916 0.388 . . . . 0.0 111.255 -174.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 36.1 t -119.4 110.3 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.034 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -95.25 111.32 23.19 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.53 138.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.36 0.6 . . . . 0.0 111.462 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.513 ' HB3' HD11 ' A' ' 106' ' ' LEU . 37.9 m-85 -119.7 123.69 44.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.922 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -108.71 112.07 24.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -109.07 138.19 45.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.606 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -107.97 166.22 10.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.697 0.284 . . . . 0.0 110.428 178.342 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.405 ' HB2' HG23 ' A' ' 45' ' ' THR . 50.8 m -70.36 -20.68 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.422 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 87.7 t80 -80.08 -24.59 40.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.24 12.37 8.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.903 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -81.07 139.88 35.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 98' ' ' TYR . 46.1 tp -129.68 119.14 23.02 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.051 0.453 . . . . 0.0 110.364 -178.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.659 HE22 HG13 ' A' ' 15' ' ' ILE . 8.6 tt0 -110.0 109.87 20.6 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.458 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -95.6 125.26 40.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.14 109.5 12.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.025 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.2 m -92.83 119.42 32.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.592 ' HZ ' HG21 ' A' ' 17' ' ' THR . 98.3 m-85 -108.98 119.17 38.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.925 0.393 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -111.99 108.59 17.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.722 -175.585 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.139 0.495 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 p -95.53 121.41 37.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.156 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.5 mt -101.06 110.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -97.65 110.7 23.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.966 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 p -112.45 125.72 54.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.09 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.7 ptm -64.37 141.59 98.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.45 131.84 45.61 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.946 2.431 . . . . 0.0 112.382 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -86.11 160.44 51.97 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.15 -175.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.07 146.94 67.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.788 2.326 . . . . 0.0 111.792 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 3.0 mptp? -88.49 -28.54 20.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.146 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -127.88 136.3 51.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.305 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 mt -144.98 115.05 7.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.475 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -97.6 171.34 8.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.408 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.71 122.03 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.33 -17.42 19.05 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -80.37 154.51 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 0.0 110.56 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.1 m -129.26 117.65 21.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.075 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.89 116.34 28.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.035 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -89.28 99.87 12.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.284 0.564 . . . . 0.0 110.083 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 51.4 mt -93.98 101.82 12.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.995 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.851 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 97.2 mtt180 -80.3 117.64 21.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.084 0.469 . . . . 0.0 110.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.1 129.44 55.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.176 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -124.52 113.08 17.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.117 0.484 . . . . 0.0 111.274 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tt -93.33 119.05 32.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.474 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -102.58 113.23 26.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.518 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.219 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 101' ' ' ASP . 74.6 mmtt -80.5 118.57 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -174.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -98.31 120.86 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.5 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 95.5 m-85 -117.42 135.82 53.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.313 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.0 141.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.244 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -154.58 161.64 41.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 171.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.528 ' HE1' ' HB2' ' A' ' 68' ' ' LEU . 48.3 p90 -146.16 163.19 36.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 176.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -145.21 129.58 17.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.0 pm0 -110.21 101.41 47.81 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.304 0.573 . . . . 0.0 110.298 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' ' 94' ' ' THR . 37.0 Cg_endo -68.78 -37.01 12.61 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.31 2.007 . . . . 0.0 111.957 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.47 120.88 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.332 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.19 176.81 19.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.157 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.11 -167.33 1.74 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.586 0.231 . . . . 0.0 110.542 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.03 173.48 13.52 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.076 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.3 m -140.59 122.21 15.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 83' ' ' LEU . 41.9 tp -100.74 118.96 37.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.042 0.449 . . . . 0.0 110.547 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -107.82 165.31 11.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.935 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.1 ttm -101.17 162.63 12.76 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 6.0 p -61.26 -20.12 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -78.63 -16.6 57.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.106 0.479 . . . . 0.0 110.767 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.12 -5.44 39.04 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -64.75 120.76 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.428 -0.386 . . . . 0.0 111.0 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.1 t -83.65 119.39 32.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 64.5 mt -88.93 140.59 29.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 91.1 mt -119.12 152.96 52.83 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 23.5 Cg_exo -64.94 158.22 52.59 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.859 2.372 . . . . 0.0 112.3 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 53.1 m-80 75.42 -61.17 0.48 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.194 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -75.44 162.5 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 111.415 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 48' ' ' PHE . 70.4 mt -111.43 138.78 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.619 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 71.8 m-85 -124.62 135.77 27.04 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.782 172.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 7.5 Cg_exo -72.1 139.84 33.34 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.781 2.321 . . . . 0.0 112.664 -177.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.15 113.9 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -84.83 6.18 5.86 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.882 2.388 . . . . 0.0 112.364 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -148.84 150.91 23.13 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.84 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.17 -38.32 11.13 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.043 0.449 . . . . 0.0 109.915 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -109.79 86.0 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.63 0.729 . . . . 0.0 109.521 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -118.54 175.82 5.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.392 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.851 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 85.9 mtm180 -124.25 129.93 51.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 60' ' ' LEU . 91.2 mt -101.85 126.39 48.72 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -103.9 97.65 7.61 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.933 0.396 . . . . 0.0 110.955 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -85.2 117.77 24.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.222 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.3 m -90.73 110.96 22.15 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.0 m -71.19 110.25 5.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.66 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.59 13.27 21.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 m -136.63 158.4 44.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.321 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -109.21 -16.59 14.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.446 0.641 . . . . 0.0 109.726 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.76 -177.69 4.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.42 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.33 113.26 3.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.434 0.458 . . . . 0.0 111.852 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -97.72 112.29 24.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.47 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 23.7 m -101.2 105.8 16.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.869 0.366 . . . . 0.0 110.014 178.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.4 t -116.19 119.58 62.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 42.0 t0 -103.11 111.95 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.0 139.68 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -174.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.517 ' HB3' HD11 ' A' ' 106' ' ' LEU . 60.2 m-85 -120.84 122.37 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -111.05 113.07 25.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.55 ' HB3' HD13 ' A' ' 106' ' ' LEU . 11.3 pt20 -120.93 158.15 28.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.941 0.4 . . . . 0.0 111.23 -177.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -116.76 168.2 10.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 178.531 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 p -65.85 -24.14 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.461 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 86.3 t80 -79.88 -23.96 41.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.368 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.36 11.41 7.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.858 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -75.28 143.1 43.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.55 HD13 ' HB3' ' A' ' 100' ' ' GLN . 57.2 tp -141.8 120.19 12.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 111.605 -175.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -110.23 109.62 20.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.203 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -106.55 119.26 38.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.188 0.518 . . . . 0.0 110.962 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.2 mt -116.3 110.55 18.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.179 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 6.6 m -93.25 118.09 30.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -111.11 124.59 52.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.774 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.3 t -109.91 112.22 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.262 -179.184 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -119.33 126.14 50.72 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.502 HG12 ' HA ' ' A' ' 36' ' ' LEU . 57.2 mt -110.47 110.38 31.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.82 137.15 32.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.835 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.512 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 21.9 p -109.9 136.47 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 -175.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.2 mmt -70.34 143.88 91.28 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.291 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -46.23 118.49 2.47 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.49 2.793 . . . . 0.0 113.459 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.9 m -92.4 154.35 42.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.849 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.82 125.52 14.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.077 1.851 . . . . 0.0 111.187 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -72.01 -35.1 69.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.747 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -111.97 121.27 44.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.117 177.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.27 162.77 20.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.189 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -119.47 161.18 20.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.937 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.57 112.34 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.999 0.428 . . . . 0.0 110.068 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.92 -2.92 33.69 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.773 -176.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.57 141.65 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.294 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 m -112.53 112.59 24.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.48 119.62 30.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.271 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -89.88 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.282 0.563 . . . . 0.0 110.464 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 37.3 mt -87.04 98.79 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.411 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.4 mtt85 -88.17 119.76 28.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.764 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.503 ' SG ' HG22 ' A' ' 17' ' ' THR . 25.0 m -118.2 140.55 49.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.01 -172.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -121.91 113.33 19.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HA ' HG12 ' A' ' 15' ' ' ILE . 7.8 tt -85.47 120.49 26.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.967 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -91.84 101.63 14.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.526 ' HE ' ' HG3' ' A' ' 79' ' ' GLU . 30.8 ptt180 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.122 0.487 . . . . 0.0 110.697 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.648 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -80.94 119.69 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.664 -177.363 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -98.13 123.33 42.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.706 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.474 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 83.8 m-85 -114.77 150.74 34.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.496 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.406 HD12 ' HE1' ' A' ' 99' ' ' PHE . 13.7 tt -130.24 138.62 53.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.321 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HB2' ' HA ' ' A' ' 70' ' ' PRO . 39.9 ptt180 -163.23 146.49 10.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' HE1' ' HB2' ' A' ' 68' ' ' LEU . 53.5 p90 -121.68 146.29 47.16 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.213 -177.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -106.17 124.2 49.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.466 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -114.53 95.93 41.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' A' ' 94' ' ' THR . 22.5 Cg_exo -65.03 -46.66 5.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.014 2.476 . . . . 0.0 112.579 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -150.88 142.05 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.277 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.47 -160.36 23.96 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.545 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.94 91.95 1.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.15 130.98 3.43 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.185 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.7 m -94.75 112.19 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.738 0.304 . . . . 0.0 110.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -100.97 109.87 21.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.271 0.557 . . . . 0.0 110.429 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.543 ' HG2' HG22 ' A' ' 67' ' ' VAL . 54.1 mtmt -106.13 160.44 15.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.429 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.7 ttp -92.24 169.49 10.56 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.563 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.6 p -53.6 -31.53 47.43 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.174 0.59 . . . . 0.0 112.399 -177.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.99 -6.98 52.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.323 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.39 -9.53 71.77 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -64.29 122.65 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.389 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' ' 61' ' ' LYS . 55.8 t -74.96 122.75 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.619 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 69.6 mt -87.06 141.89 28.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.836 0.35 . . . . 0.0 111.049 -173.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.52 ' HB3' ' OD1' ' A' ' 71' ' ' ASN . 3.1 mm? -127.35 154.36 77.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.18 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 72.6 Cg_endo -80.7 -22.89 6.16 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.399 2.066 . . . . 0.0 112.742 176.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.52 ' OD1' ' HB3' ' A' ' 69' ' ' LEU . 24.2 p-10 -89.6 -24.21 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.786 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -111.9 112.01 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.6 tp -87.0 117.23 25.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.121 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 85.2 m-85 -104.44 146.36 32.45 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.577 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.2 Cg_endo -86.77 155.29 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.977 2.451 . . . . 0.0 112.032 176.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -84.2 140.82 39.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.82 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.96 -31.56 15.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.649 2.233 . . . . 0.0 113.132 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.76 -163.83 30.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.038 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.526 ' HG3' ' HE ' ' A' ' 38' ' ' ARG . 1.9 mp0 -70.26 -46.63 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.7 m -98.78 106.34 18.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.097 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -131.37 163.4 27.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 56.0 mtt85 -124.69 131.65 53.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.488 -175.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.711 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.7 mt -106.37 119.03 38.18 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.987 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.8 100.08 11.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.282 0.563 . . . . 0.0 110.587 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -91.43 107.09 18.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.433 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -88.89 108.57 19.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.091 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 m -76.93 105.2 7.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.995 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.03 1.4 45.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.72 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.3 p -109.51 162.51 14.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.309 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -123.28 11.14 9.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 110.638 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -137.89 -175.22 4.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.206 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 49.5 tt0 -60.57 133.31 55.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.349 0.595 . . . . 0.0 112.009 -174.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -142.96 135.92 28.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.197 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.462 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 62.2 m -110.75 127.55 55.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.229 0.538 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.57 120.28 57.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.691 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -102.11 113.06 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.8 114.54 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.36 118.86 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HE2' HD12 ' A' ' 109' ' ' LEU . 74.8 m-85 -109.23 115.34 29.83 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 170.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.474 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 10.5 pt20 -126.39 148.78 49.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.145 0.498 . . . . 0.0 112.321 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 105' ' ' GLN . 34.1 m-20 -88.03 163.78 16.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.336 173.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.465 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 11.6 p -73.16 -5.44 39.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.646 0.736 . . . . 0.0 109.587 170.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -79.73 -22.49 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.197 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.82 -12.73 35.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.464 ' HB3' ' OD2' ' A' ' 101' ' ' ASP . 7.6 tt0 -76.89 144.42 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 pp -147.95 149.35 32.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.405 0.621 . . . . 0.0 111.729 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -120.45 109.75 15.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.727 172.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -96.72 127.06 42.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.122 0.487 . . . . 0.0 110.372 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.439 HD12 ' HE2' ' A' ' 99' ' ' PHE . 82.5 mt -105.52 113.41 26.96 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.113 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -92.53 114.1 26.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.436 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.512 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.9 m-85 -105.9 118.28 36.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.556 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.1 m -108.93 108.1 18.72 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 98.6 m-85 . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.67 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.851 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 84.7 m-85 . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 121.018 0.437 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -123.95 124.15 41.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.546 ' HB ' ' NE2' ' A' ' 107' ' ' GLN . 12.8 mm -101.63 105.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.22 133.67 35.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.878 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 p -125.03 145.58 49.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -86.27 145.58 40.52 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.24 145.04 68.16 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.936 2.424 . . . . 0.0 112.743 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 32' ' ' ILE . 26.9 m -120.21 155.99 55.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -60.45 144.76 99.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.645 2.23 . . . . 0.0 111.77 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -89.28 -40.44 12.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -175.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -98.73 111.14 23.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.39 123.8 45.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' ' 28' ' ' GLU . 22.3 pttm -86.13 164.69 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.639 177.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG13 ' HA ' ' A' ' 88' ' ' ALA . 43.3 t -70.28 126.71 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.81 0.338 . . . . 0.0 110.122 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.94 2.24 66.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.856 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 28.2 tt0 -90.07 145.21 25.24 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.6 m -111.57 118.13 34.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.899 0.38 . . . . 0.0 111.36 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.18 117.27 33.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.538 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -80.92 110.77 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 HG11 ' A' ' 20' ' ' VAL . 47.5 mt -93.08 99.51 9.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -78.43 127.58 32.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -125.26 126.8 45.71 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.528 -175.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -119.21 113.28 20.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.85 104.78 17.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -89.64 100.7 13.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 -173.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.635 HH22 HG21 ' A' ' 45' ' ' THR . 12.4 ptm180 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.635 HG21 HH22 ' A' ' 38' ' ' ARG . 27.4 m . . . . . 0 N--CA 1.444 -0.726 0 CA-C-O 121.116 0.484 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -118.47 142.98 47.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.02 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.672 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 43.7 m-85 -97.38 124.49 41.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.888 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' HB3' HD11 ' A' ' 73' ' ' LEU . 86.6 m-85 -124.8 148.2 48.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.704 0.288 . . . . 0.0 110.448 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.91 144.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -153.16 166.07 33.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.591 ' HE2' ' HB3' ' A' ' 68' ' ' LEU . 17.5 m-85 -132.0 164.74 25.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.776 -173.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.615 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 75.5 t80 -135.96 140.62 44.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -116.84 94.63 44.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.1 Cg_endo -76.37 -47.0 0.16 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.967 1.778 . . . . 0.0 111.685 175.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -147.08 137.68 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.22 -179.26 25.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.255 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.67 134.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.922 0.391 . . . . 0.0 110.572 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.56 133.81 3.58 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.859 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.3 m -87.66 110.68 20.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 83' ' ' LEU . 36.7 tp -100.69 119.58 38.8 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -109.71 149.45 29.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.6 ttm -82.65 166.74 18.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 3.8 p -52.22 -31.52 32.44 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.49 -2.13 37.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.658 0.266 . . . . 0.0 111.597 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.38 -5.7 77.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.205 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -59.93 117.73 5.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.524 0.33 . . . . 0.0 111.239 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -75.7 124.31 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.333 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.591 ' HB3' ' HE2' ' A' ' 51' ' ' TYR . 7.0 mt -103.06 127.54 50.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.967 -175.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.62 155.35 37.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.461 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.36 158.05 52.2 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.53 2.153 . . . . 0.0 112.89 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.7 t30 71.85 -37.17 0.38 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.276 1.03 . . . . 0.0 112.436 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.74 135.18 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 48' ' ' PHE . 35.3 tp -90.39 115.49 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.382 . . . . 0.0 110.955 -175.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 96.5 m-85 -103.89 146.15 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.95 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 11.3 Cg_endo -88.99 137.0 3.1 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.006 2.471 . . . . 0.0 111.692 173.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 92.7 mt -92.92 131.21 33.98 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.364 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.03 5.83 4.23 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.916 2.411 . . . . 0.0 112.993 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 173.09 -164.59 36.58 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.358 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -110.5 -11.82 14.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.355 0.597 . . . . 0.0 110.197 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 m -111.35 98.29 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.82 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -145.07 158.38 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.094 0.473 . . . . 0.0 111.242 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.466 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.572 ' HB3' HD11 ' A' ' 60' ' ' LEU . 85.2 mt -108.12 133.8 51.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.466 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 68.0 m-85 -103.11 101.56 11.53 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.175 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -87.56 116.31 25.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.2 m -103.88 107.83 18.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.103 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 129.67 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -121.75 -0.96 9.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.875 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.583 ' OG ' ' HG2' ' A' ' 93' ' ' GLN . 24.3 p -122.19 152.22 40.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 176.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 m -91.26 -26.28 19.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.074 0.464 . . . . 0.0 110.966 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -94.41 -159.07 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.12 117.23 3.55 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 111.388 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.915 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 61.0 mt-30 -101.77 111.99 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.326 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.496 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 5.8 m -115.6 105.62 12.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.923 0.392 . . . . 0.0 110.616 -178.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.77 114.14 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.576 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 5.1 t0 -92.74 111.41 23.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.3 t -108.86 131.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.702 0.286 . . . . 0.0 111.246 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.478 ' HB3' HD11 ' A' ' 106' ' ' LEU . 64.4 m-85 -115.91 122.01 44.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.9 113.6 26.65 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.564 ' HB3' HD13 ' A' ' 106' ' ' LEU . 20.7 pt20 -122.19 137.81 54.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.61 0.719 . . . . 0.0 111.614 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -112.51 155.25 24.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.761 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.616 ' OG ' ' HA ' ' A' ' 45' ' ' THR . 11.2 p -74.28 0.47 14.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.944 0.402 . . . . 0.0 111.709 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -78.71 -14.05 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.179 0.514 . . . . 0.0 109.673 171.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.08 1.62 45.09 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.699 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.851 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 2.9 tp-100 -80.24 125.85 30.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 100' ' ' GLN . 59.7 tp -128.33 116.23 19.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.024 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.546 ' NE2' ' HB ' ' A' ' 15' ' ' ILE . 7.6 tt0 -114.33 118.17 33.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -97.26 146.27 25.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.78 114.59 12.79 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 m -94.52 112.66 24.43 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.019 0.438 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.68 119.36 37.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -105.24 108.2 19.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.544 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.915 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 93.2 m-85 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 19.0 m-85 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.141 0.496 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -127.57 125.63 40.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.812 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 36' ' ' LEU . 51.1 mt -101.52 115.24 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.942 0.401 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -93.81 116.34 28.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.465 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 32.2 p -93.23 135.82 34.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.437 ' HG3' ' HB2' ' A' ' 33' ' ' ARG . 95.9 mmm -64.53 134.31 95.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.75 124.13 11.82 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.474 2.782 . . . . 0.0 112.573 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.464 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 15.8 m -79.15 157.74 75.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.931 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 97.7 Cg_endo -85.4 171.22 8.89 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.58 2.853 . . . . 0.0 114.173 -171.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -107.55 10.66 29.18 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.093 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -140.33 136.84 33.62 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.09 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -142.75 146.4 34.26 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.719 0.295 . . . . 0.0 110.385 179.764 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 50.8 mttm -109.04 136.14 49.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.74 111.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 0.0 110.352 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.11 -2.42 29.91 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.735 -175.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . 8.2 tp10 -95.56 158.29 15.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.941 0.4 . . . . 0.0 110.233 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 30.0 m -107.72 140.61 40.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.49 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.28 122.23 47.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.644 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 84' ' ' TYR . 20.2 pt-20 -88.82 100.36 13.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mt -84.35 102.89 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.299 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HB2' ' HG3' ' A' ' 18' ' ' MET . 96.0 mtt180 -87.39 119.83 28.07 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.155 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 17' ' ' THR . 31.9 m -120.29 127.37 52.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -112.02 112.81 24.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.196 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 15' ' ' ILE . 10.6 tt -89.12 120.85 30.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.9 114.56 21.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 121.096 0.474 . . . . 0.0 111.453 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.233 0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.85 129.06 46.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.827 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 33.0 m-85 -103.93 148.3 26.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.718 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 95.1 m-85 -125.32 139.62 53.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.631 0.253 . . . . 0.0 110.667 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -124.72 131.09 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.38 0.61 . . . . 0.0 111.388 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -152.2 142.5 22.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 174.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -133.31 166.45 22.46 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.48 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -136.78 122.82 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -113.1 105.0 55.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.165 0.507 . . . . 0.0 110.368 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.45 -20.66 18.03 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 123.014 2.476 . . . . 0.0 111.785 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -97.67 153.66 18.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.959 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.17 96.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.522 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.577 ' HB1' ' OH ' ' A' ' 85' ' ' TYR . . . -117.09 -158.72 0.71 Allowed 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.623 0.249 . . . . 0.0 111.423 -174.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.85 -161.07 27.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.073 -174.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -105.75 128.3 53.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.369 . . . . 0.0 110.841 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' ' 83' ' ' LEU . 60.8 tp -102.23 123.19 45.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -109.69 161.89 14.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.17 0.509 . . . . 0.0 110.043 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.3 ttp -107.56 157.76 17.78 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -56.36 -20.1 17.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -70.18 -21.79 63.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.382 0.611 . . . . 0.0 110.46 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.18 -7.04 34.83 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.62 132.37 46.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.397 -0.401 . . . . 0.0 111.126 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.9 t -88.92 126.0 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.6 mt -94.5 112.3 24.06 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.052 0.453 . . . . 0.0 110.841 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 69' ' ' LEU . 3.5 mm? -96.63 144.36 27.71 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.761 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.54 -2.07 8.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.967 2.445 . . . . 0.0 112.461 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -85.31 -33.93 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.601 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.3 163.51 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.955 0.407 . . . . 0.0 111.637 -171.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 48' ' ' PHE . 60.5 tp -107.2 119.15 38.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.297 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.61 148.1 35.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -85.75 132.07 4.03 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.503 2.135 . . . . 0.0 112.472 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.827 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 77.3 mt -83.49 115.8 61.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.203 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.22 5.59 5.88 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.038 2.492 . . . . 0.0 113.403 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -156.89 152.23 23.59 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.839 -177.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HG2' ' NE ' ' A' ' 38' ' ' ARG . 2.3 mp0 -79.35 -42.91 24.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.272 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.3 p -102.8 101.51 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.402 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -126.7 150.46 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.51 . . . . 0.0 111.402 -172.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -114.85 135.35 54.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.951 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.569 ' HB3' HD11 ' A' ' 60' ' ' LEU . 83.8 mt -109.51 136.09 49.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.768 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 40.1 m-85 -106.21 100.94 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.372 0.606 . . . . 0.0 111.056 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.577 ' OH ' ' HB1' ' A' ' 57' ' ' ALA . 42.8 t80 -98.83 107.7 20.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 18.7 m -88.2 107.28 18.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -92.55 139.63 30.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.56 20.11 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.197 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 93' ' ' GLN . 9.4 t -130.95 152.17 50.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.104 -178.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -111.28 2.81 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.544 0.687 . . . . 0.0 109.883 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.37 174.56 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.596 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.4 103.56 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.4 0.619 . . . . 0.0 109.606 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.427 ' OE1' ' HB3' ' A' ' 89' ' ' SER . 21.7 mt-30 -94.23 119.2 32.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.412 -173.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.7 m -88.54 105.93 17.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 0.0 110.347 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 t -108.64 101.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -97.16 110.92 23.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -106.31 134.5 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.091 0.472 . . . . 0.0 111.077 -173.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.529 ' HB3' HD11 ' A' ' 106' ' ' LEU . 57.1 m-85 -111.86 116.45 30.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.404 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.97 112.81 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.606 ' HB3' HD13 ' A' ' 106' ' ' LEU . 4.5 pt20 -124.65 164.38 20.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.682 -178.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.07 175.41 9.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.615 -177.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.9 m -72.99 -21.33 60.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.083 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.89 -14.71 58.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.55 9.79 20.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.107 -1.044 . . . . 0.0 114.138 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -83.58 155.42 23.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.645 0.723 . . . . 0.0 110.175 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 100' ' ' GLN . 35.5 tp -147.08 116.07 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.42 114.53 27.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.414 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -92.73 128.47 38.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.6 mt -120.39 109.11 14.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 m -99.29 113.65 26.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.88 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.465 ' HZ ' HG21 ' A' ' 17' ' ' THR . 92.8 m-85 -109.88 122.73 48.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.221 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 p -95.38 107.43 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.838 -177.068 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.193 0.52 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.0 m -105.23 119.84 40.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.418 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.97 122.78 61.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.282 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.83 142.47 37.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.104 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 p -122.39 131.13 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.109 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.4 mtp -69.2 133.89 89.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -43.65 125.93 5.25 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.688 2.925 . . . . 0.0 113.092 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.1 m -86.37 164.51 37.78 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.908 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.45 148.01 82.85 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.743 2.295 . . . . 0.0 112.01 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -81.72 -45.05 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.644 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -124.9 136.98 54.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.758 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 87' ' ' SER . 65.6 mt -119.18 115.45 24.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.738 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -77.58 153.25 33.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.501 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.02 114.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.767 0.318 . . . . 0.0 110.281 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.63 3.54 22.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.616 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -91.12 149.09 21.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.563 -0.374 . . . . 0.0 110.533 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 m -120.13 107.51 13.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 0.0 110.082 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.06 126.16 34.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.508 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 39.5 mt-10 -87.92 100.32 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.28 175.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.909 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 57.2 mt -80.51 99.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 175.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 32.5 mtm-85 -88.28 115.5 25.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.252 0.548 . . . . 0.0 110.498 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.2 t -125.39 134.75 52.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.433 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -138.27 121.04 16.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.136 0.494 . . . . 0.0 111.059 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 10.2 tt -75.68 112.71 12.33 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 168.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -82.78 100.33 10.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.398 0.618 . . . . 0.0 111.212 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.84 176.642 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.222 0.534 . . . . 0.0 111.854 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -107.26 138.39 43.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.352 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.886 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 28.2 m-85 -99.19 150.59 21.9 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.613 ' HB2' ' HB2' ' A' ' 100' ' ' GLN . 91.9 m-85 -132.77 154.45 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.8 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.9 tt -141.72 141.56 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -152.95 166.53 32.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' HE1' HD13 ' A' ' 68' ' ' LEU . 87.7 m-85 -136.5 166.3 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.894 0.378 . . . . 0.0 111.922 -177.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -157.83 114.63 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.781 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -109.53 112.22 58.96 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.05 175.767 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 3.5 Cg_exo -80.87 -7.19 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 123.179 2.586 . . . . 0.0 112.37 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -128.57 -175.71 3.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.891 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.31 127.14 7.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.294 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.07 -173.36 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.594 0.235 . . . . 0.0 110.908 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.04 -137.92 9.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.157 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.3 m -110.31 134.22 52.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 110.668 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' A' ' 85' ' ' TYR . 44.2 tp -125.58 125.78 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -177.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 50.2 mtmt -135.2 159.77 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.4 ttp -83.73 159.2 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -52.45 -26.0 11.58 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.26 -23.42 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.42 -3.62 15.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.4 m -73.65 118.12 16.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.101 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.558 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 40.7 t -69.79 128.99 33.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.611 HD13 ' HE1' ' A' ' 51' ' ' TYR . 57.5 mt -101.92 99.51 9.71 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 81.7 mt -102.9 154.65 37.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.993 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 16.4 Cg_exo -69.59 -9.98 27.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.143 2.562 . . . . 0.0 112.276 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -76.04 -38.62 56.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -113.39 156.13 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -173.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -106.78 112.42 25.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 42.5 m-85 -96.29 136.11 22.17 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -173.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 6.2 Cg_exo -79.63 136.92 12.53 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.667 2.245 . . . . 0.0 111.527 174.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.886 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.9 mt -89.14 114.91 62.14 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.084 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.15 -3.66 14.16 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.4 160.06 32.28 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.744 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -90.61 -13.26 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.094 0.474 . . . . 0.0 110.778 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 111.7 21.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.154 176.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -154.71 166.63 32.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 -175.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 97.2 mtt180 -118.77 147.46 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.459 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.909 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 39.1 mt -115.47 134.26 55.25 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.772 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 57.0 m-85 -110.97 110.1 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.501 ' HB2' HD13 ' A' ' 60' ' ' LEU . 74.0 t80 -107.93 122.95 47.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 178.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -97.6 117.0 30.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.879 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.425 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 2.5 p -74.85 115.93 15.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.187 0.518 . . . . 0.0 111.504 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.09 21.11 4.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -119.68 162.83 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.665 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 p -123.12 -0.08 8.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 111.908 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -113.44 -167.42 1.2 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -72.26 111.59 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.712 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 21.8 mt-30 -83.07 111.04 18.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.347 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -105.64 109.03 20.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.142 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.63 117.94 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 34.3 t0 -96.36 118.28 32.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.517 HG22 ' HE2' ' A' ' 51' ' ' TYR . 40.5 t -99.1 126.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.755 -176.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -107.06 118.5 36.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.687 0.279 . . . . 0.0 111.149 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -109.85 133.37 53.23 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.724 ' HG2' HD22 ' A' ' 106' ' ' LEU . 76.7 mt-30 -132.7 150.04 52.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.73 0.3 . . . . 0.0 110.951 -177.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 159.21 17.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.789 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.1 p -71.24 -9.65 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.748 0.785 . . . . 0.0 109.535 173.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.79 -17.06 56.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.36 18.38 26.38 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.035 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.59 138.53 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -122.0 116.0 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.213 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -126.57 109.59 12.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 24.4 pt20 -114.24 133.23 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.302 0.573 . . . . 0.0 111.42 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.46 113.19 18.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.923 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 13.7 m -94.16 113.88 25.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.837 0.351 . . . . 0.0 110.535 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.04 136.54 41.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.671 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.0 p -120.33 108.53 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.712 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 98.3 m-85 . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.2 p90 . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.077 0.465 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t -106.6 128.49 54.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.58 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' A' ' 35' ' ' GLN . 57.8 mt -132.24 105.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 109.866 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -104.68 153.75 20.85 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.479 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.514 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 41.1 p -119.37 143.15 47.59 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.409 -177.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.6 mtt -72.79 147.93 89.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.55 127.84 23.96 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.162 2.575 . . . . 0.0 112.662 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 m -105.11 155.68 37.33 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.562 -174.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 127.39 10.09 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.753 2.302 . . . . 0.0 110.997 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.81 -27.67 40.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.047 0.451 . . . . 0.0 110.454 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -110.0 121.58 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.271 0.558 . . . . 0.0 110.51 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 HE21 ' A' ' 93' ' ' GLN . 85.0 mt -122.6 170.74 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.502 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HD3' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.77 152.86 41.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.661 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 89' ' ' SER . 20.3 t -58.01 121.26 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 173.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.3 -15.75 58.67 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.148 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 13.6 mm-40 -79.23 125.52 29.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.433 . . . . 0.0 109.954 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.8 m -100.62 117.13 34.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.187 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.33 113.75 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -78.96 108.82 12.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.845 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -102.81 99.91 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -83.39 133.06 34.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.486 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.9 m -116.87 146.9 42.62 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.771 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 7.1 tp60 -116.9 112.78 21.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 7.5 tt -99.8 122.01 42.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -129.92 117.13 19.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.199 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 9.5 ptm180 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.082 172.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.853 0.359 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 102' ' ' SER . 67.7 mttm -99.21 140.21 33.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.116 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.837 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 55.8 m-85 -102.01 146.42 27.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.094 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 78.0 m-85 -127.73 150.1 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 0.0 110.758 -178.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.87 140.35 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.702 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 26.2 ttp180 -162.1 135.5 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -138.41 166.79 23.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.541 -173.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -132.75 125.17 29.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.778 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -112.87 94.48 29.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.36 -46.87 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.447 2.098 . . . . 0.0 112.673 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -116.37 -28.99 6.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.064 -176.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 92' ' ' GLN . . . -72.4 94.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.567 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -83.42 98.57 9.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.196 0.522 . . . . 0.0 110.764 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.6 161.17 32.97 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.097 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.47 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 29.7 m -98.13 114.29 26.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 83' ' ' LEU . 38.0 tp -94.24 116.96 29.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.533 . . . . 0.0 110.665 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 84' ' ' TYR . 50.6 mttm -106.26 151.07 25.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.228 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.7 ttm -82.29 164.28 21.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.403 ' HA ' ' HE2' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -54.93 -23.6 19.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.118 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -86.83 -15.73 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.698 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.75 -6.09 24.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.06 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.1 m -67.61 125.62 26.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.765 0.283 . . . . 0.0 111.521 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.44 121.26 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.8 mt -91.47 118.81 30.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.339 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 4.1 mm? -76.15 124.56 88.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 171.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 88.5 Cg_exo -47.33 -49.23 13.4 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.498 2.798 . . . . 0.0 114.022 -172.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -87.38 4.41 43.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -103.48 144.92 30.76 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.968 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 48' ' ' PHE . 33.2 tp -93.71 111.31 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.696 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -105.07 151.88 39.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -86.05 147.3 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.645 2.23 . . . . 0.0 112.184 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.837 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.3 mt -94.84 129.75 35.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.85 -23.72 30.05 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.932 2.421 . . . . 0.0 113.106 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.28 -177.43 39.93 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.042 -1.075 . . . . 0.0 112.856 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -82.79 -34.43 27.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -94.42 40.99 1.09 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.219 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -75.18 163.56 27.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.343 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.87 145.74 52.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.649 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' A' ' 60' ' ' LEU . 96.0 mt -116.45 139.48 50.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 61' ' ' LYS . 91.0 m-85 -117.2 109.35 16.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 0.0 110.983 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -95.32 106.35 18.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.619 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.47 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.9 m -86.95 106.75 18.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.543 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -66.88 130.38 42.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.97 23.78 3.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.713 0.292 . . . . 0.0 111.648 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.565 ' O ' HG22 ' A' ' 26' ' ' VAL . 15.8 t -126.3 -178.76 4.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -61.12 -43.4 98.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 149.28 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.446 -1.706 . . . . 0.0 110.38 150.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.557 ' O ' ' HA2' ' A' ' 56' ' ' GLY . 5.9 tm0? -105.39 118.1 35.7 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.072 168.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 17.3 mp0 -119.72 108.17 14.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.817 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 m -143.6 105.55 4.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.819 171.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.95 135.03 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.086 -174.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -101.37 112.2 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.84 116.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.467 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 91.7 m-85 -93.12 126.82 38.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.319 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.456 ' CE2' HD12 ' A' ' 109' ' ' LEU . 81.5 m-85 -109.02 114.46 28.22 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.569 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 11.3 tt0 -108.33 120.43 42.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.788 -169.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -91.03 152.47 20.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.912 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 17.4 t -67.99 -15.28 63.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.676 -175.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -79.47 -9.18 59.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.3 10.8 33.09 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 177.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -103.17 126.48 50.36 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.486 ' HB3' ' HG3' ' A' ' 100' ' ' GLN . 3.1 pp -123.21 135.01 54.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.131 0.491 . . . . 0.0 110.346 177.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -110.71 118.26 35.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.47 -177.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -90.33 107.64 19.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.282 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.456 HD12 ' CE2' ' A' ' 99' ' ' PHE . 67.7 mt -100.91 115.12 29.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.833 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -92.73 120.8 33.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.47 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.514 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.1 m-85 -105.51 118.0 35.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 m -128.26 109.7 11.72 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.613 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 2.3 m-85 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.301 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 38' ' ' ARG . 13.3 t -168.1 110.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 167.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.474 HD11 ' HE1' ' A' ' 13' ' ' PHE . 41.1 mt -129.64 133.04 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.565 0.222 . . . . 0.0 111.341 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.35 135.45 43.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.456 HG21 HD13 ' A' ' 109' ' ' LEU . 36.9 p -119.36 126.97 52.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.554 -173.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.472 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.5 mpt? -72.23 130.2 86.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -58.4 146.31 90.55 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.05 2.5 . . . . 0.0 112.805 -177.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.455 HG11 HG12 ' A' ' 32' ' ' ILE . 28.7 m -96.4 167.05 12.98 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.561 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 32.9 Cg_exo -57.65 141.94 95.6 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.324 2.016 . . . . 0.0 111.362 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -71.18 -48.29 52.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.331 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -108.17 138.03 45.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.503 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -133.0 151.65 52.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.094 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.22 161.8 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.954 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.56 111.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.61 2.77 32.71 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.993 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -88.62 158.89 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 m -127.13 119.71 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 110.787 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.26 114.1 27.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -84.86 102.01 12.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.235 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 31.1 mt -82.4 98.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -82.45 114.56 20.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.424 ' SG ' HG22 ' A' ' 17' ' ' THR . 25.5 m -121.09 126.69 50.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -114.02 120.35 40.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.999 0.428 . . . . 0.0 110.205 174.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -85.84 121.2 28.16 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 172.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -128.81 106.31 8.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.66 -174.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.6 mmm180 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 112.829 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 102' ' ' SER . 6.1 m . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.26 159.07 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 65.8 m-85 -109.4 133.25 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.836 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.506 ' HB3' HD21 ' A' ' 73' ' ' LEU . 83.1 m-85 -124.93 136.78 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.385 . . . . 0.0 110.884 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.0 tt -111.94 133.66 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.476 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 23.0 ttp180 -156.21 106.22 2.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.346 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.502 ' CB ' ' HA ' ' A' ' 97' ' ' VAL . 19.5 p90 -105.31 158.7 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.485 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.435 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 69.5 t80 -122.76 144.35 49.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.957 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -110.28 94.69 19.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 94' ' ' THR . 24.3 Cg_exo -63.66 -38.01 43.25 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.109 1.873 . . . . 0.0 110.149 173.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.73 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 30.9 m-20 -108.99 106.82 16.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 171.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.95 72.69 1.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.499 -174.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.55 122.27 9.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.496 0.188 . . . . 0.0 110.501 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.25 154.52 9.41 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.616 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.478 HG22 ' HG3' ' A' ' 61' ' ' LYS . 90.4 m -122.32 111.85 17.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.725 0.298 . . . . 0.0 110.506 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 83' ' ' LEU . 53.2 tp -94.03 115.33 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HG3' HG22 ' A' ' 59' ' ' THR . 36.1 mtmm -120.4 152.98 37.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.733 0.301 . . . . 0.0 110.669 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.6 ttm -84.92 163.09 19.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -57.83 -20.35 35.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.28 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -89.27 -7.56 55.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.747 0.308 . . . . 0.0 110.802 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.13 -3.07 37.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.06 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.2 m -68.31 124.55 23.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.725 0.298 . . . . 0.0 111.278 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 48.4 t -81.93 116.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.815 176.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD12 ' HG ' ' A' ' 60' ' ' LEU . 43.7 mt -84.88 122.38 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.816 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.7 mt -93.05 143.26 26.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.864 0.364 . . . . 0.0 111.196 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.3 132.84 40.43 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.489 2.126 . . . . 0.0 111.883 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 73.08 -6.42 1.71 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.439 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -88.96 150.9 22.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 48' ' ' PHE . 6.7 tt -118.72 129.3 55.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.707 0.289 . . . . 0.0 111.029 -170.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -131.11 156.8 79.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.909 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.44 149.39 11.61 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.886 2.39 . . . . 0.0 111.84 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -91.3 119.47 68.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.557 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 63.0 Cg_endo -94.44 6.23 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.267 2.645 . . . . 0.0 114.125 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -150.9 157.07 27.0 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 119.866 -1.159 . . . . 0.0 113.5 -176.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -93.49 -40.1 10.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -104.72 81.06 1.72 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.446 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.3 164.54 13.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.867 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 32.3 mtm180 -129.71 128.38 42.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.328 -178.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 89.8 mt -102.43 115.86 31.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.942 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -99.85 101.06 12.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.14 0.495 . . . . 0.0 110.932 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -86.8 114.26 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.129 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.7 m -85.65 113.54 21.95 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -73.59 108.4 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.391 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.44 -6.69 21.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.882 174.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.1 t -106.89 143.43 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.133 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.5 t -115.08 3.06 14.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.204 0.526 . . . . 0.0 109.978 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -119.83 -173.7 2.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.907 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -65.26 103.43 0.79 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.325 0.583 . . . . 0.0 110.547 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.73 ' HG2' ' HB2' ' A' ' 55' ' ' ASP . 25.0 tm0? -121.66 133.24 54.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.192 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.456 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 86.4 m -108.47 118.57 37.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -101.38 120.84 51.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.89 172.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -113.11 110.69 20.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.098 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.502 ' HA ' ' CB ' ' A' ' 51' ' ' TYR . 39.5 t -104.95 121.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 -173.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 97.4 m-85 -99.12 122.07 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.791 0.329 . . . . 0.0 110.776 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 39.7 m-85 -108.8 111.9 23.89 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 48' ' ' PHE . 11.3 pt20 -105.8 130.51 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.607 0.718 . . . . 0.0 112.18 -172.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -80.87 157.96 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.613 ' HB2' HG23 ' A' ' 45' ' ' THR . 49.3 m -69.37 -25.23 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.27 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -80.13 -20.13 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 0.0 110.819 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.84 -3.37 10.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.968 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.49 102.2 3.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -106.8 134.28 50.19 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.415 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -110.07 110.4 21.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.815 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -92.23 111.08 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.456 HD13 HG21 ' A' ' 17' ' ' THR . 68.1 mt -99.89 108.95 21.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.8 m -100.7 115.95 31.46 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.603 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -113.92 118.63 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.674 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 52.1 m -115.07 119.96 38.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -169.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.008 0.432 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -149.04 -48.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.572 ' HB2' HG12 ' A' ' 5' ' ' VAL . 5.8 m-20 66.23 -3.17 0.85 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.465 0.706 . . . . 0.0 112.894 170.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 60.34 24.86 14.34 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.942 0.497 . . . . 0.0 111.232 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.572 HG12 ' HB2' ' A' ' 3' ' ' ASP . 4.1 p -108.98 103.5 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.614 0.721 . . . . 0.0 110.042 177.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -78.39 120.51 23.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.268 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.1 mt -75.98 99.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.751 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -145.54 120.29 9.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.341 173.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -100.22 84.7 2.87 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.438 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 22.8 p -119.84 168.83 10.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.17 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -89.08 112.14 49.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.639 0.257 . . . . 0.0 110.608 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 10' ' ' SER . 25.6 Cg_exo -62.91 122.36 10.61 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.777 2.318 . . . . 0.0 111.332 176.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -67.53 139.2 56.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.241 0.543 . . . . 0.0 111.102 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -107.81 134.35 50.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.876 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.22 113.01 43.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -86.44 110.45 19.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.515 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 74.9 p -109.84 139.78 44.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.547 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 7.2 ptp -71.23 145.5 91.03 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.086 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.69 110.9 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.623 2.216 . . . . 0.0 111.711 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -78.53 158.89 75.58 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.128 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -55.58 133.54 58.68 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.526 2.151 . . . . 0.0 111.931 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -89.98 -14.78 33.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.293 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 66.4 mttm -129.39 132.53 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.697 171.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.86 152.12 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.461 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -113.93 170.41 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.7 115.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.5 50.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.72 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.81 144.12 39.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.2 m -122.54 124.65 44.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.53 123.51 36.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.374 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.588 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -89.56 100.55 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.434 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 44.6 mt -93.68 98.59 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.252 0.548 . . . . 0.0 110.675 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HB3' ' HG2' ' A' ' 18' ' ' MET . 60.5 ttp85 -80.26 117.38 20.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.18 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 32' ' ' ILE . 32.8 m -119.14 131.95 55.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -129.19 114.34 16.18 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.9 tt -88.63 116.73 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -176.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -91.88 113.63 25.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -150.31 117.9 6.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -63.62 154.92 31.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.381 0.61 . . . . 0.0 110.878 -176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . 77.94 -98.93 1.49 Allowed Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 -171.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.56 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 15.6 tpp180 178.54 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.933 ' HB2' ' HB ' ' A' ' 45' ' ' THR . 44.1 p90 176.43 164.18 0.42 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -130.09 93.61 3.52 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 52.97 31.96 11.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.787 0.803 . . . . 0.0 110.256 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.933 ' HB ' ' HB2' ' A' ' 42' ' ' PHE . 42.9 m -91.86 102.71 15.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.684 -177.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HB2' ' HE2' ' A' ' 46' ' ' LYS . 2.6 mppt? -96.13 142.36 28.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.17 141.22 31.37 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.554 ' HB3' HD11 ' A' ' 73' ' ' LEU . 95.1 m-85 -114.19 124.43 52.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.0 tt -106.88 129.95 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.433 0.635 . . . . 0.0 111.419 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 50' ' ' ARG . 44.7 ttp180 -150.93 140.57 21.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.403 ' CE1' HD23 ' A' ' 60' ' ' LEU . 35.7 p90 -133.92 144.0 48.57 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.831 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -107.76 131.62 54.25 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -118.58 102.62 49.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.5 Cg_exo -61.85 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.9 2.4 . . . . 0.0 111.453 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.21 -73.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.226 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.46 -26.33 3.07 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 113.159 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . -128.09 172.95 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.308 0.554 . . . . 0.0 111.483 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 126.6 3.01 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.688 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -94.92 111.82 23.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.68 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 83' ' ' LEU . 51.7 tp -106.91 111.8 24.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HG2' HG22 ' A' ' 67' ' ' VAL . 58.1 mtmt -116.04 143.74 45.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.7 ttm -76.42 156.63 32.97 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 82' ' ' ARG . 48.4 t -55.15 -28.05 49.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.87 0.367 . . . . 0.0 111.42 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.07 3.68 29.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.701 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.79 -3.81 65.45 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.093 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -71.75 116.49 12.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' ' 61' ' ' LYS . 96.8 t -76.95 126.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.5 mt -101.94 118.89 37.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 0.0 110.861 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -92.49 134.27 28.31 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.897 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.58 -33.62 96.84 Favored 'Trans proline' 0 N--CA 1.474 0.36 0 C-N-CA 123.185 2.59 . . . . 0.0 113.412 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -85.71 -7.93 58.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.308 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.44 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 4.1 t70 -99.41 -172.46 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 48' ' ' PHE . 54.4 tp -148.54 117.16 6.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.8 m-85 -119.66 145.79 40.01 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.851 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 2.2 Cg_endo -82.57 141.27 11.01 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.885 2.39 . . . . 0.0 111.731 175.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.6 145.42 54.65 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.681 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.98 -10.24 18.05 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.717 2.278 . . . . 0.0 112.934 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -164.63 35.42 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.58 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -78.85 -31.38 45.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 0.0 110.555 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.7 p -96.05 98.47 10.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -138.17 153.27 49.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.35 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 91.1 mtm180 -129.71 143.09 50.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.2 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.603 ' HB3' HD11 ' A' ' 60' ' ' LEU . 89.8 mt -119.64 129.18 54.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.696 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 90.8 m-85 -107.46 103.78 13.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.959 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.487 ' HB2' HD13 ' A' ' 60' ' ' LEU . 68.7 t80 -100.33 112.37 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.459 -178.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -93.44 108.42 20.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.888 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -71.82 126.25 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.0 20.79 11.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.331 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 20.0 m -127.38 153.63 46.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.508 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -98.08 10.88 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.053 0.454 . . . . 0.0 111.136 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -163.38 1.04 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.96 113.48 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.658 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.8 mp0 -80.59 110.08 15.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.28 0.562 . . . . 0.0 109.573 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.545 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 17.5 m -109.44 110.97 22.24 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.783 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -120.67 108.88 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.22 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 44.9 t0 -97.58 110.15 22.77 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.9 t -100.88 130.71 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.53 ' HB3' HD11 ' A' ' 106' ' ' LEU . 43.2 m-85 -111.74 122.66 48.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.376 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -108.61 111.9 23.96 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 173.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -103.43 122.71 45.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.025 0.441 . . . . 0.0 110.767 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.48 156.77 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.794 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.586 ' HB3' HG23 ' A' ' 45' ' ' THR . 30.0 t -68.33 -26.83 65.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.387 -176.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -81.45 -5.88 58.37 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 111.093 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.79 7.3 39.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -88.39 128.35 35.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.338 0.569 . . . . 0.0 109.882 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 98' ' ' TYR . 52.2 tp -106.91 123.76 48.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.48 109.68 20.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.822 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -105.9 133.75 50.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.0 111.278 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.26 109.76 12.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.56 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 4.4 m -94.02 113.67 25.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.335 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -104.22 125.92 50.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.3 p -107.33 108.51 19.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.982 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.658 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 74.2 m-85 -99.22 147.28 25.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.208 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.671 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 66.2 t30 65.55 59.64 0.76 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.831 0.707 . . . . 0.0 110.609 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -97.65 164.29 12.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -142.7 134.41 26.74 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.946 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.5 p -97.41 9.87 41.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.156 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.4 m 67.83 -177.67 0.21 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.243 -176.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.732 ' HB3' ' HB3' ' A' ' 122' ' ' GLU . 55.2 mtpt 62.47 45.85 6.1 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.193 0.308 . . . . 0.0 110.301 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 120' ' ' GLU . 1.6 mp0 -42.73 -59.4 1.95 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.379 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.49 -3.79 20.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.705 0.288 . . . . 0.0 111.0 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 119' ' ' LYS . 21.2 tt0 -69.34 -27.79 65.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.226 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.66 98.66 4.11 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 167.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.34 78.91 1.35 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -111.04 66.39 0.63 Allowed 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 166.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -20.0 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.495 -166.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -77.36 105.69 8.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.101 0.477 . . . . 0.0 110.178 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -97.27 148.6 22.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.431 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -116.16 169.64 9.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.718 0.294 . . . . 0.0 110.469 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.488 -0.768 . . . . 0.0 109.788 175.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.653 0.263 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.432 ' H ' ' H ' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -170.17 -1.0 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.656 0.741 . . . . 0.0 109.467 175.771 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' H ' ' H ' ' A' ' 2' ' ' ASN . 7.6 p-10 -89.59 -153.52 0.28 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.331 -174.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.64 125.53 29.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.894 0.854 . . . . 0.0 111.928 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 t -135.57 19.04 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -101.94 -1.67 31.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.297 -1.774 . . . . 0.0 111.746 -164.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.98 109.04 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 58.45 61.46 2.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.809 -173.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -70.42 149.71 46.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.793 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 p -77.75 163.99 25.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -66.84 118.12 51.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.43 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.12 126.48 18.0 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.859 2.373 . . . . 0.0 113.021 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' HE2' HD11 ' A' ' 15' ' ' ILE . 33.0 p90 -94.27 149.95 20.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.601 175.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 t -107.32 117.62 34.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.928 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.608 ' HB ' HE22 ' A' ' 107' ' ' GLN . 61.1 mt -103.72 108.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -99.92 156.59 17.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.216 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -131.3 150.89 51.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.461 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -73.91 150.62 88.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.077 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.59 107.71 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.06 161.29 68.87 Favored Pre-proline 0 C--O 1.238 0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.285 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.15 149.53 62.84 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.777 2.318 . . . . 0.0 111.749 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -83.11 -12.29 57.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -174.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HA ' ' H ' ' A' ' 114' ' ' ASN . 23.7 pttm -151.4 153.97 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -136.96 137.72 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.882 0.372 . . . . 0.0 111.136 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 54.5 tttm -81.72 154.2 26.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.785 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.87 119.8 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.49 -18.05 55.82 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -175.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 36.9 tt0 -77.66 129.11 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.1 m -108.69 129.7 55.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.054 0.454 . . . . 0.0 111.095 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 130.12 55.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.26 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.67 117.77 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 110.384 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 51.6 mt -101.26 99.68 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -80.28 128.49 33.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 t -118.73 150.82 39.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.427 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -140.01 113.4 8.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -88.66 108.78 19.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.12 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -91.58 106.69 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.461 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.72 HH21 ' HE2' ' A' ' 47' ' ' TYR . 68.9 mtt85 -86.06 137.96 32.3 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 171.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -121.36 -79.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.699 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.71 -10.69 72.14 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.944 -173.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 62.98 101.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.545 0.688 . . . . 0.0 111.357 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -123.4 64.03 1.01 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.569 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 68.89 -179.53 0.23 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.618 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -89.63 60.71 5.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.398 0.618 . . . . 0.0 109.829 176.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 t -66.15 146.48 54.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.448 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -90.59 129.08 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.72 ' HE2' HH21 ' A' ' 38' ' ' ARG . 68.8 m-85 -100.3 129.79 46.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.405 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.574 ' HB3' HD11 ' A' ' 73' ' ' LEU . 72.2 m-85 -118.46 139.92 50.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -176.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.4 tt -115.07 133.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 111.052 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.47 ' NE ' HD13 ' A' ' 73' ' ' LEU . 14.3 ptp180 -148.75 136.15 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.8 p90 -120.71 156.84 30.93 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.636 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -135.61 108.96 7.82 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.789 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' HE2' ' A' ' 51' ' ' TYR . 4.6 pt20 -104.52 114.3 64.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.186 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.72 -33.68 97.1 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.62 2.214 . . . . 0.0 111.051 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -86.0 106.82 17.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.509 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.39 63.85 4.36 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.809 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -158.97 87.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.991 0.424 . . . . 0.0 110.425 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.89 147.86 7.7 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.801 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 91.6 m -118.75 112.3 19.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.754 0.311 . . . . 0.0 110.857 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HG ' HD12 ' A' ' 68' ' ' LEU . 55.9 tp -111.28 109.31 19.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.891 0.377 . . . . 0.0 110.228 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 36.8 mtmm -116.05 145.87 42.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.015 0.436 . . . . 0.0 110.689 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.2 ttp -89.47 152.81 21.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -57.53 -23.95 53.29 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.03 -20.11 65.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.939 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.96 -1.27 38.45 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.1 m -73.61 121.65 21.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.992 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 55.4 t -80.36 120.82 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.57 HD12 ' HG ' ' A' ' 60' ' ' LEU . 73.6 mt -90.22 129.37 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -176.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 3.9 mm? -104.26 155.25 37.5 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.581 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 40.5 Cg_endo -68.76 131.25 22.23 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.233 1.955 . . . . 0.0 111.629 174.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.3 m120 74.58 -35.22 0.29 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.259 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' HB2' ' HB2' ' A' ' 69' ' ' LEU . 2.8 m-20 -64.81 143.06 58.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.636 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 48' ' ' PHE . 23.0 tp -105.78 129.41 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.545 -170.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 60.7 m-85 -123.25 135.94 26.52 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.631 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.4 Cg_exo -76.26 139.01 20.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.796 2.331 . . . . 0.0 111.924 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.2 117.36 68.13 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.661 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -87.18 1.14 7.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.169 2.579 . . . . 0.0 112.288 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.55 179.09 30.15 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.043 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 8.5 pt-20 -124.42 -18.54 5.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.017 0.436 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -110.3 31.11 6.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.281 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -66.64 151.61 47.02 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.181 -174.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -111.39 130.07 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.57 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.5 mt -102.9 138.34 39.91 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.317 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -118.49 102.85 9.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.106 0.479 . . . . 0.0 110.474 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -100.92 117.57 35.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.868 -177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.7 m -99.21 121.41 41.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.744 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 20.3 t -75.62 126.73 31.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -110.71 -4.04 15.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.211 0.529 . . . . 0.0 110.22 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 42.1 t -112.57 148.68 34.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.822 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -111.61 8.56 20.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.467 0.651 . . . . 0.0 109.47 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -111.52 -165.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.024 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.52 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . 53.0 tp60 -56.58 118.09 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.744 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 9.8 tt0 -119.4 114.35 22.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.921 0.391 . . . . 0.0 110.191 -173.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 m -112.83 121.63 45.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.215 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -128.17 113.67 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.346 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -102.7 113.27 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.48 126.14 57.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -175.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.98 123.79 48.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -109.31 113.51 26.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 173.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.504 ' HB3' HD23 ' A' ' 106' ' ' LEU . 3.9 pt20 -115.36 145.17 42.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.349 0.595 . . . . 0.0 111.54 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 19.4 t70 -108.6 161.55 14.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.229 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -65.86 -25.7 67.31 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -79.34 -23.53 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.462 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.78 -3.08 7.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.982 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 83.7 mm-40 -63.52 142.61 58.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.724 0.297 . . . . 0.0 110.343 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.8 tm? -142.4 116.62 9.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.608 HE22 ' HB ' ' A' ' 15' ' ' ILE . 20.7 tt0 -113.92 118.5 34.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -105.15 126.76 52.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.006 0.432 . . . . 0.0 110.921 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -114.81 110.4 19.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.01 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 m -92.74 113.49 25.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -97.82 119.35 36.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.461 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.4 m -108.67 110.57 22.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.173 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.744 ' HB2' ' HB3' ' A' ' 93' ' ' GLN . 83.1 m-85 -101.26 164.58 11.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . 9.4 t30 80.0 -67.15 0.14 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.724 0.81 . . . . 0.0 111.32 178.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -136.63 128.47 29.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.326 0.584 . . . . 0.0 111.269 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -140.67 -22.57 0.8 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.566 174.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.0 m 66.09 13.1 8.93 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.876 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.2 m -90.32 39.78 0.98 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.065 -0.397 . . . . 0.0 111.601 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -169.58 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 0.0 111.523 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.15 153.14 26.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.849 0.833 . . . . 0.0 112.471 -167.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.85 91.71 3.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.434 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.42 103.98 16.16 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.44 53.84 10.23 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.997 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 58.55 109.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.081 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' A' ' 127' ' ' HIS . 0.7 OUTLIER -84.15 48.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.55 178.778 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 71.29 -24.82 0.17 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.026 0.931 . . . . 0.0 112.19 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.442 ' H ' ' C ' ' A' ' 125' ' ' HIS . 70.1 t60 63.64 87.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.51 . . . . 0.0 110.105 -175.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -142.79 136.51 28.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.492 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -161.97 127.78 3.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.571 174.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.311 179.666 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.7 t30 71.82 -89.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.389 0.676 . . . . 0.0 110.786 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -159.69 -65.21 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.319 0.58 . . . . 0.0 109.961 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -91.24 152.38 20.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.052 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -79.78 150.06 5.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -71.81 -173.8 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.691 0.282 . . . . 0.0 110.264 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 mm -72.42 115.66 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.935 0.397 . . . . 0.0 110.984 -175.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.12 156.58 35.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.577 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -81.08 87.11 6.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 p -91.5 11.93 22.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 63.95 83.65 0.2 Allowed Pre-proline 0 N--CA 1.465 0.276 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.688 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.46 166.12 14.02 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.939 2.426 . . . . 0.0 111.078 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -63.67 137.24 58.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.856 ' HA ' HE22 ' A' ' 107' ' ' GLN . 6.3 p -145.07 130.22 18.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.483 -177.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.0 mt -106.59 117.17 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 0.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.41 113.4 25.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.022 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -96.75 133.86 40.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.6 mmt -72.24 144.84 87.57 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.495 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.74 130.84 31.84 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.207 2.604 . . . . 0.0 112.738 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 27.5 m -99.76 161.38 24.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 25.9 Cg_endo -62.97 165.03 17.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.933 2.422 . . . . 0.0 112.234 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.64 -31.85 18.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 149.87 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.204 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 30' ' ' ALA . 68.7 mt -127.19 143.1 51.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 49.1 mtpt -98.03 165.95 11.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.976 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.97 114.39 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.37 -3.57 59.78 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.804 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . 8.3 tp10 -83.56 125.3 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 28.0 m -103.93 118.95 37.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.925 0.393 . . . . 0.0 111.086 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -93.37 123.16 36.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.214 177.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -86.31 101.22 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 49.3 mt -93.14 99.08 9.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -81.88 126.69 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.2 m -113.17 127.17 56.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.345 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.63 111.72 22.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.654 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -86.65 123.32 31.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.05 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -81.77 107.38 14.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -88.89 106.75 18.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.135 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -110.21 -53.54 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.164 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.82 115.4 7.77 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.614 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -95.1 105.44 17.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 110.625 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -145.71 -150.33 0.32 Allowed 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.12 174.66 2.44 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 170.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.24 72.0 4.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.269 0.557 . . . . 0.0 110.182 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.1 t -54.9 140.68 36.14 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.707 171.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -107.7 140.22 41.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.382 0.611 . . . . 0.0 111.674 -169.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.533 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 1.1 m-85 -97.75 138.54 34.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.532 -175.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 73' ' ' LEU . 81.8 m-85 -125.58 149.9 47.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.76 0.314 . . . . 0.0 110.336 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.542 ' HB ' HD21 ' A' ' 76' ' ' LEU . 16.7 tt -121.77 134.75 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.212 0.53 . . . . 0.0 110.87 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 9.0 ttp180 -153.73 117.39 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.166 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -110.45 152.8 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.36 -176.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -122.24 121.03 35.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.951 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -110.96 94.02 19.19 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 94' ' ' THR . 36.8 Cg_endo -67.35 -47.77 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.114 1.876 . . . . 0.0 112.134 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -144.17 120.78 11.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.99 -176.93 30.11 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 89' ' ' SER . . . -153.81 101.75 2.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.921 0.391 . . . . 0.0 110.606 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . -156.89 148.93 19.42 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.895 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -97.11 111.92 23.93 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -95.02 110.71 22.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.072 0.463 . . . . 0.0 110.522 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.035 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.494 ' SD ' ' HD3' ' A' ' 77' ' ' PRO . 38.1 ttp -96.74 165.07 12.3 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 2.4 p -55.31 -23.62 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.33 -4.69 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.686 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 7.35 76.86 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.8 m -80.38 119.17 22.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.123 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -76.94 112.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.61 152.56 27.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.2 156.06 75.23 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 7.6 Cg_exo -74.09 152.36 45.56 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.723 2.282 . . . . 0.0 112.247 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 94.3 m-20 77.33 -52.68 0.55 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.628 0.771 . . . . 0.0 112.31 177.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.21 165.25 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 48' ' ' PHE . 36.8 tp -119.32 137.4 53.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -167.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 59.3 m-85 -124.24 147.87 56.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.231 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 2.4 Cg_endo -81.98 145.82 14.21 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.942 2.428 . . . . 0.0 112.79 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.542 HD21 ' HB ' ' A' ' 49' ' ' ILE . 87.5 mt -88.08 146.29 38.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.494 ' HD3' ' SD ' ' A' ' 62' ' ' MET . 58.2 Cg_endo -73.05 -19.95 22.38 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.007 2.472 . . . . 0.0 113.778 -175.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.23 -156.1 27.78 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.532 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -72.28 -47.81 47.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.427 . . . . 0.0 110.93 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -106.42 131.49 53.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -156.15 171.87 19.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 55.8 mtt180 -118.83 137.17 53.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.52 -177.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.472 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 79.4 mt -112.76 115.34 28.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 172.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.53 101.55 13.02 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.085 0.469 . . . . 0.0 110.462 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.442 ' CZ ' ' HA3' ' A' ' 58' ' ' GLY . 83.7 t80 -96.16 100.68 12.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.388 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 44.1 m -86.1 109.19 18.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.842 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 40.8 t -67.53 144.16 55.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.794 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.85 13.21 5.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.568 ' HB3' ' HB3' ' A' ' 57' ' ' ALA . 61.3 p -145.0 159.48 42.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.8 t -101.58 -9.43 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.841 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.85 177.54 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.981 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.621 ' HA ' ' HB2' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -70.04 151.18 45.82 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.062 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' A' ' 112' ' ' SER . 88.6 mt-30 -128.04 115.87 19.14 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 -176.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 25.9 m -109.64 105.68 15.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.127 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.0 t -121.28 112.87 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.42 110.88 21.97 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.69 121.31 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.979 0.419 . . . . 0.0 110.598 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 40.5 m-85 -94.39 122.72 37.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.591 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -109.34 111.95 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.477 ' HB3' HD23 ' A' ' 106' ' ' LEU . 16.1 pt20 -121.8 140.16 52.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.798 -174.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -115.74 158.65 22.51 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.669 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -71.89 -3.78 24.4 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -79.32 -17.83 53.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 109.457 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.7 -8.22 34.22 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.65 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.43 142.03 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 110.328 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.6 tm? -137.83 118.7 14.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.498 -176.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.856 HE22 ' HA ' ' A' ' 14' ' ' SER . 17.3 mt-30 -118.08 112.76 20.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.357 0.599 . . . . 0.0 110.827 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -93.3 112.4 24.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.392 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -105.46 112.56 25.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.009 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.5 m -92.4 113.41 25.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.121 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.78 121.6 41.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.222 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.609 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 10.4 t -121.54 108.69 13.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -96.72 147.91 23.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.898 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.621 ' HB2' ' HA ' ' A' ' 92' ' ' GLN . 89.3 m-20 62.25 88.02 0.1 Allowed 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.832 0.707 . . . . 0.0 109.455 -174.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -65.72 -76.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.042 -171.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 58.8 -81.9 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.693 0.621 . . . . 0.0 110.714 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.6 t 68.72 93.39 0.08 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.135 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.3 p -81.67 -71.05 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 169.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 61.99 20.27 11.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.407 165.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.454 ' HG2' ' HG2' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -77.84 -28.64 50.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.294 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.454 ' HG2' ' HG2' ' A' ' 120' ' ' GLU . 14.9 pt-20 -155.26 137.87 15.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.444 175.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 122' ' ' GLU . 1.0 OUTLIER -85.12 84.94 7.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.512 0.672 . . . . 0.0 111.12 -177.711 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.6 tp -145.98 102.85 3.69 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.522 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -173.07 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -81.51 118.01 22.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.784 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -76.91 132.58 39.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -81.0 149.04 29.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.139 -176.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -83.86 173.54 11.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -103.69 105.85 16.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.848 0.356 . . . . 0.0 110.615 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 29.5 t60 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.447 174.271 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -124.72 92.46 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.485 0.66 . . . . 0.0 110.658 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -124.79 -28.33 3.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.216 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -86.41 127.53 34.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.218 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.0 p -87.92 109.49 19.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.592 0.71 . . . . 0.0 111.107 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.18 -20.79 15.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.448 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.9 mt -54.3 122.58 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.616 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -80.74 103.91 10.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.841 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -106.51 1.5 25.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.57 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.5 t -72.85 97.47 2.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -130.02 108.22 16.65 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.222 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.9 -33.65 92.24 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 123.589 2.859 . . . . 0.0 113.268 -175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.609 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 95.5 m-85 -124.29 137.82 54.45 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.594 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.2 m -154.29 156.29 36.71 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' CG ' ' A' ' 99' ' ' PHE . 50.5 mm -112.5 115.34 49.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.319 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.49 116.82 29.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 0.0 110.271 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.485 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 26.8 p -101.8 137.31 40.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.201 -175.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.604 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 85.4 mtp -80.87 144.74 56.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.6 121.53 7.35 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.827 2.351 . . . . 0.0 112.689 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.532 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 33.8 m -83.32 164.89 43.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.432 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.532 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 10.9 Cg_endo -55.79 133.11 56.09 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.473 2.115 . . . . 0.0 111.059 173.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -86.9 3.64 44.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.51 126.55 13.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.047 0.451 . . . . 0.0 110.72 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 30' ' ' ALA . 90.0 mt -126.86 140.24 52.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -119.02 168.78 10.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.38 120.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.56 60.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.308 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -89.45 142.67 27.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.792 0.329 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 31.1 m -108.99 123.78 49.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.039 0.447 . . . . 0.0 110.654 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -95.36 128.27 42.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' CD ' ' HD2' ' A' ' 82' ' ' ARG . 37.0 tt0 -89.61 104.5 17.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.058 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.702 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 55.1 mt -89.96 102.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.8 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 55.7 mtt180 -85.41 119.61 25.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.189 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.69 134.22 55.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.056 -173.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -123.56 114.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.168 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.4 tt -75.77 124.19 26.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.122 0.487 . . . . 0.0 110.586 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -102.65 111.19 23.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.229 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' HD3' ' OE2' ' A' ' 79' ' ' GLU . 16.2 ptt180 -122.69 140.23 53.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.71 0.29 . . . . 0.0 110.979 -178.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.73 -23.21 13.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 167.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.05 107.07 1.05 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.197 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 41' ' ' ARG . 17.4 ttm-85 -79.18 79.67 5.59 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.209 0.528 . . . . 0.0 110.489 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -117.38 156.15 28.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.6 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -81.07 73.91 8.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.631 0.253 . . . . 0.0 111.042 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 51.98 79.23 0.11 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.843 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 t -86.84 144.04 27.19 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 171.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.9 130.16 36.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.061 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' HD12 ' A' ' 76' ' ' LEU . 10.7 m-85 -97.51 160.84 14.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.576 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -120.02 135.99 54.72 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.861 0.363 . . . . 0.0 110.4 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.423 ' HB ' HD21 ' A' ' 76' ' ' LEU . 20.3 tt -104.95 137.09 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.211 0.529 . . . . 0.0 110.401 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 1.145 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 29.7 tpt180 -128.4 149.84 50.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.002 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.527 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 61.2 m-85 -136.69 158.33 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.942 0.401 . . . . 0.0 111.742 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 91.6 t80 -151.58 130.24 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.258 175.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -132.77 106.82 12.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.431 0.634 . . . . 0.0 111.837 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 5.8 Cg_exo -78.27 -32.34 2.41 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.888 2.392 . . . . 0.0 112.331 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.73 126.46 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.821 ' HA3' ' HG2' ' A' ' 93' ' ' GLN . . . 141.35 169.04 11.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.394 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.62 125.79 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.88 163.35 36.78 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.568 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.496 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 40.0 m -112.57 112.55 24.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.527 HD21 ' CZ ' ' A' ' 51' ' ' TYR . 64.9 tp -111.87 123.6 50.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.456 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG2' HG22 ' A' ' 67' ' ' VAL . 56.1 mtmt -134.88 156.0 49.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.189 0.519 . . . . 0.0 110.808 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.5 ttm -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.6 t -58.77 -24.99 62.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 111.518 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.43 1.37 25.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.359 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.42 11.96 70.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.64 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.0 m -88.11 118.05 27.42 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 122.912 -0.17 . . . . 0.0 110.597 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 61' ' ' LYS . 85.1 t -67.96 131.18 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.526 HD13 ' HE2' ' A' ' 51' ' ' TYR . 70.3 mt -106.72 108.84 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -173.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 89.5 mt -104.8 146.61 32.97 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.459 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 8.1 Cg_exo -73.87 12.0 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.19 2.594 . . . . 0.0 112.622 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -92.39 -30.91 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.01 177.13 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 111.459 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 50' ' ' ARG . 18.6 mt -108.78 136.47 48.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.568 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.2 m-85 -116.4 128.15 26.21 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.459 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 13.5 Cg_exo -69.44 128.17 15.92 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.8 2.333 . . . . 0.0 111.934 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 47' ' ' TYR . 95.6 mt -79.49 118.27 71.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.595 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -81.27 6.76 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.914 2.409 . . . . 0.0 112.278 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.03 165.33 38.06 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.314 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 38.3 mt-10 -106.6 -23.77 12.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -103.62 99.6 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -140.53 173.52 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 111.69 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HD2' ' CD ' ' A' ' 31' ' ' GLU . 85.7 mtm180 -130.02 133.99 47.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.454 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.702 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.4 mt -106.05 125.76 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.933 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -105.22 111.1 23.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.2 0.524 . . . . 0.0 111.177 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -114.49 111.94 22.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.904 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 38.8 m -86.01 111.3 20.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 p -74.31 114.76 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 110.706 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.37 21.07 16.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.301 0.572 . . . . 0.0 110.43 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.4 m -115.69 145.83 42.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.56 -16.53 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.522 . . . . 0.0 110.317 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -116.06 -166.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.97 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 9.8 pt20 -63.12 152.41 37.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.128 0.489 . . . . 0.0 111.653 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.821 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 0.1 OUTLIER -145.75 118.55 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.13 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.0 m -102.35 121.78 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.992 0.425 . . . . 0.0 111.416 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.0 t -111.0 112.8 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.856 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.537 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 7.0 t70 -91.91 111.48 23.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.45 129.33 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.637 -171.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 1.145 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 68.4 m-85 -113.98 130.3 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.156 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 15' ' ' ILE . 97.4 m-85 -113.42 111.65 22.31 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -115.56 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 0.0 111.42 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.33 164.7 14.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.052 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -62.45 -31.79 72.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -79.49 -24.83 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.57 0.224 . . . . 0.0 110.622 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 122.16 12.6 5.22 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.486 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.609 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 6.7 tp60 -75.75 119.69 20.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 98' ' ' TYR . 45.0 tp -117.04 125.85 51.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.028 -173.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -109.94 128.67 55.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.184 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -108.19 116.91 32.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.453 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 109.22 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.685 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.2 m -97.03 117.59 31.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.397 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.0 m-85 -103.82 117.84 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 p -118.37 108.22 14.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.1 0.476 . . . . 0.0 110.285 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 92.2 m-85 -87.26 96.92 10.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -133.69 -72.81 0.49 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.482 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -140.59 -26.97 0.74 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -93.51 123.28 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.4 t -117.93 115.18 24.39 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.5 m 70.04 91.14 0.09 Allowed 'General case' 0 CA--C 1.531 0.239 0 O-C-N 124.044 0.84 . . . . 0.0 111.562 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.9 tptp -80.92 104.63 11.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.207 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 122' ' ' GLU . 9.8 tp10 -157.76 142.51 16.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -103.06 23.83 11.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.993 0.425 . . . . 0.0 110.286 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 120' ' ' GLU . 19.4 mm-40 68.16 -85.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.96 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.0 tp 57.9 39.27 26.88 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.262 0.553 . . . . 0.0 109.908 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 74.51 153.27 0.14 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.591 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -93.17 -141.18 0.21 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.554 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -73.5 76.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 0.0 110.79 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 179.85 71.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -67.64 -52.57 36.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.107 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -162.58 -45.84 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.6 m80 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.33 173.182 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.834 0.35 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -126.22 16.99 7.78 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -77.37 -43.38 33.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.411 -175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.08 118.35 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.169 0.918 . . . . 0.0 112.206 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t 69.05 -81.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.195 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -179.78 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.4 pt -128.19 160.63 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.645 176.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -97.34 98.59 10.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.978 0.418 . . . . 0.0 110.506 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -114.4 -3.59 13.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.319 0.58 . . . . 0.0 109.501 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -99.27 113.21 25.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.481 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -143.91 116.07 5.67 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.175 0.512 . . . . 0.0 110.823 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -96.01 -175.42 0.31 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.602 2.868 . . . . 0.0 111.419 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -98.62 138.29 36.02 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.62 -0.432 . . . . 0.0 109.914 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -96.73 112.92 24.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.772 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.467 HD12 ' HG3' ' A' ' 107' ' ' GLN . 55.1 mt -108.92 110.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 152.96 26.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.404 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' SG ' ' A' ' 34' ' ' CYS . 23.1 p -119.41 139.27 52.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.202 -177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 96.5 mmm -75.59 126.01 87.91 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.81 126.58 13.02 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.813 3.009 . . . . 0.0 113.923 -171.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.36 158.78 54.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.245 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -68.41 146.93 70.22 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.316 2.011 . . . . 0.0 112.024 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -84.61 -27.23 27.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 0.0 109.951 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -107.0 122.88 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.251 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.11 107.64 14.74 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.638 0.732 . . . . 0.0 111.269 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 50.5 tptt -68.43 148.79 50.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.605 176.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.95 111.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.83 4.1 48.79 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.512 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 8.6 tp10 -82.46 151.34 26.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -114.79 111.29 21.01 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.47 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . . . -82.77 97.63 8.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.517 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -79.62 109.63 14.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.643 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 32.1 mt -106.46 99.12 7.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -88.78 118.49 28.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.98 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' SG ' HG22 ' A' ' 17' ' ' THR . 33.4 m -116.38 145.06 43.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.754 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.592 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 53.1 tt0 -136.11 127.24 28.01 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.195 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -94.87 123.45 38.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.187 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -101.79 112.84 25.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.524 ' NH1' ' HA ' ' A' ' 43' ' ' GLU . 6.3 ptp85 -107.09 130.93 54.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 176.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.87 -20.56 28.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.137 0.494 . . . . 0.0 109.937 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.92 121.2 6.52 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.575 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -77.98 84.27 4.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.988 0.423 . . . . 0.0 111.389 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -163.55 121.74 1.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.562 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 11.9 pt-20 -98.49 -9.08 25.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.328 . . . . 0.0 111.45 -176.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -83.0 66.12 8.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.456 0.646 . . . . 0.0 110.738 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.1 m -152.56 120.06 6.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.762 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -90.5 137.24 32.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.674 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.715 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 47.7 m-85 -100.99 161.37 13.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.494 ' HB3' HD11 ' A' ' 73' ' ' LEU . 96.3 m-85 -131.54 143.87 50.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.705 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.419 ' HB ' HD21 ' A' ' 76' ' ' LEU . 13.5 tt -122.38 136.05 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.042 0.448 . . . . 0.0 110.673 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -150.05 117.33 6.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.696 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.532 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.0 p90 -108.06 147.97 30.43 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.936 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -117.06 126.36 52.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.526 ' HB2' ' HE2' ' A' ' 51' ' ' TYR . 59.6 tt0 -126.94 79.19 73.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 -175.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.56 -15.15 7.55 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.558 2.172 . . . . 0.0 112.114 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.83 100.76 4.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.221 -171.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.667 ' HA3' ' HG3' ' A' ' 93' ' ' GLN . . . 136.41 -178.97 18.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.871 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.43 -174.73 3.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.63 -163.57 12.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.421 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.7 m -147.64 131.82 17.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.22 0.208 . . . . 0.0 110.474 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.5 tp -112.7 124.53 52.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.524 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -120.75 155.81 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.6 ttm -94.64 165.91 12.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.6 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 11.9 p -54.92 -28.02 47.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.43 5.0 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.265 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.37 0.86 86.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.117 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -72.71 118.18 15.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.484 0.183 . . . . 0.0 110.812 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.15 130.95 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.81 149.59 21.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 95.4 mt -122.07 148.72 52.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.405 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.532 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.0 Cg_exo -65.4 128.48 20.38 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.84 2.36 . . . . 0.0 112.577 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 67.33 14.25 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.738 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.13 126.57 52.37 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 48' ' ' PHE . 20.9 tp -88.72 112.49 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.148 0.499 . . . . 0.0 111.266 -172.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -106.93 149.95 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.29 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.42 149.94 19.31 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.255 1.97 . . . . 0.0 112.621 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.715 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.9 mt -99.04 122.33 52.8 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.084 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.18 6.02 5.87 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.998 2.465 . . . . 0.0 113.544 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.97 179.25 48.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.386 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 35' ' ' GLN . 25.7 mt-10 -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.171 0.51 . . . . 0.0 109.949 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 34.7 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.197 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -71.77 151.38 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.345 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -120.62 136.09 54.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.9 mt -104.17 140.4 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.663 0.268 . . . . 0.0 110.644 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.6 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 66.3 m-85 -110.65 101.53 10.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 69.0 t80 -96.83 128.1 43.46 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.571 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.7 m -106.8 125.6 51.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.798 0.332 . . . . 0.0 110.771 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -99.01 133.76 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.71 10.11 10.92 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 t -164.63 -172.58 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.523 ' HA ' ' ND2' ' A' ' 114' ' ' ASN . 14.8 t -130.2 7.39 5.02 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.733 ' HB3' ' HB3' ' A' ' 116' ' ' ASP . 1.5 t70 -82.41 177.31 8.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.617 -0.677 . . . . 0.0 111.315 -176.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -75.7 127.53 33.24 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.882 0.373 . . . . 0.0 111.52 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.667 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 6.9 tt0 -129.59 146.8 51.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.371 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -128.7 114.52 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.253 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.1 t -120.13 128.39 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.746 0.307 . . . . 0.0 111.396 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.3 111.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.6 t -104.16 116.39 47.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.533 ' HD2' HD13 ' A' ' 106' ' ' LEU . 86.5 m-85 -103.03 125.19 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 61.8 m-85 -109.5 111.76 23.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 171.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.77 146.28 39.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -172.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -114.35 178.84 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.608 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -71.5 -18.95 62.26 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.472 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 87.5 t80 -79.51 -20.52 47.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 0.0 110.31 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.4 1.18 43.94 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.572 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -78.1 114.42 16.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.533 HD13 ' HD2' ' A' ' 98' ' ' TYR . 3.4 pp -117.72 139.29 51.24 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.207 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.467 ' HG3' HD12 ' A' ' 15' ' ' ILE . 14.9 mm100 -109.2 109.55 20.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -95.96 116.15 28.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.659 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.407 HD12 ' HE2' ' A' ' 99' ' ' PHE . 73.5 mt -105.22 120.18 40.89 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.439 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.2 m -92.84 114.97 27.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.073 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -109.75 119.46 39.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.2 t -92.51 107.78 19.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -105.54 163.22 12.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.331 0.586 . . . . 0.0 111.639 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.523 ' ND2' ' HA ' ' A' ' 90' ' ' THR . 7.9 t30 -102.77 82.64 2.15 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.506 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 34.3 t30 179.21 101.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.796 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.733 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 13.6 t70 -155.97 153.77 30.08 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.8 m 65.85 92.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.712 0.633 . . . . 0.0 110.948 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -103.27 144.9 30.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.489 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -77.43 114.9 16.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.841 0.353 . . . . 0.0 110.754 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -88.11 54.07 2.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.622 0.725 . . . . 0.0 109.269 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -84.95 20.99 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.664 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -84.52 178.79 7.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.325 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 126' ' ' HIS . 98.8 mt -64.11 129.48 40.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.111 175.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.64 -47.55 83.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.091 0.472 . . . . 0.0 110.491 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.648 ' HB3' ' HE1' ' A' ' 128' ' ' HIS . 85.9 m-70 -87.05 57.52 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.512 0.672 . . . . 0.0 109.875 176.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 123' ' ' LEU . 49.4 t-80 -77.47 156.27 31.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.295 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 79.9 t60 72.26 65.04 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.62 0.724 . . . . 0.0 110.731 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.648 ' HE1' ' HB3' ' A' ' 125' ' ' HIS . 8.3 m80 -109.67 174.08 6.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.378 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -81.0 152.95 27.7 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.918 0.39 . . . . 0.0 110.504 -176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.349 177.642 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.66 0.267 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.428 ' O ' ' HB3' ' A' ' 3' ' ' ASP . 52.1 t-20 -81.48 103.61 11.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.275 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 2' ' ' ASN . 16.8 t70 73.56 -45.87 0.62 Allowed 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.855 0.722 . . . . 0.0 111.508 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -98.89 131.04 45.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.366 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.2 p 41.05 83.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 122.346 1.069 . . . . 0.0 112.242 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.93 -158.42 0.55 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.088 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' O ' HG13 ' A' ' 7' ' ' ILE . 11.4 tp -104.17 -0.09 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 120.966 0.413 . . . . 0.0 111.927 -171.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -73.19 115.36 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.998 0.428 . . . . 0.0 110.512 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.49 133.63 45.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.659 -177.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.1 p -123.92 -77.9 0.6 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.335 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CD1' ' HG3' ' A' ' 41' ' ' ARG . 36.1 m-85 -78.97 -47.37 1.68 Allowed Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.418 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 62.0 Cg_exo -41.95 118.12 0.87 Allowed 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 122.903 2.402 . . . . 0.0 113.465 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.9 139.14 50.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.255 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.5 t -119.5 128.04 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.006 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 36' ' ' LEU . 54.8 mt -92.34 119.98 40.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -94.52 141.87 28.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -125.53 141.48 52.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.905 0.383 . . . . 0.0 111.295 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.478 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.1 mpt? -77.78 130.68 72.63 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.716 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -59.18 144.04 99.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.207 2.605 . . . . 0.0 112.863 -175.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.31 155.28 63.29 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.446 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.83 151.29 74.19 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.423 2.082 . . . . 0.0 111.307 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -89.2 9.83 24.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.913 0.387 . . . . 0.0 110.007 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -135.91 111.91 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 30' ' ' ALA . 32.2 mt -133.83 131.31 39.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.286 0.565 . . . . 0.0 111.299 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 4.6 ttmp? -92.41 153.84 18.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.083 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.24 123.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.65 66.14 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.726 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 29.5 tt0 -94.16 154.75 17.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -113.42 142.28 46.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -125.8 119.24 27.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.937 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 9.4 pt-20 -81.74 103.84 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.794 0.807 . . . . 0.0 111.072 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -84.05 99.51 6.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.278 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.441 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 28.1 mtp180 -76.07 133.76 40.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.247 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 m -130.47 127.39 39.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.909 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.499 ' HG3' HG22 ' A' ' 80' ' ' THR . 48.4 tt0 -127.26 112.55 15.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.082 0.468 . . . . 0.0 110.364 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . 8.0 tt -78.89 124.5 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.795 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -75.57 113.32 12.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.193 0.52 . . . . 0.0 109.929 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -100.47 117.64 35.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.362 -171.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' OD2' ' HG2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -86.51 -47.81 8.93 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.684 -178.376 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.14 -1.23 4.53 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.637 -0.792 . . . . 0.0 114.018 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.493 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 9.5 mmm180 -83.82 102.97 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.53 0.665 . . . . 0.0 110.411 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.552 ' CE2' ' HD1' ' A' ' 103' ' ' PHE . 24.3 p90 36.6 58.35 1.07 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 122.337 1.065 . . . . 0.0 111.802 -172.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.94 -5.81 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.783 -1.553 . . . . 0.0 112.53 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -84.19 16.02 3.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 0.0 110.893 -175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 45' ' ' THR . 2.9 t -73.23 153.68 40.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.755 177.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -87.16 131.15 34.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 10.9 m-85 -103.05 130.0 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 73' ' ' LEU . 95.9 m-85 -119.85 148.32 43.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.93 0.395 . . . . 0.0 111.319 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.45 ' HB ' HD21 ' A' ' 76' ' ' LEU . 11.0 tt -121.07 138.08 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -155.07 112.81 3.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.459 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -110.4 161.44 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.297 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -130.36 136.39 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.298 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -124.63 111.63 27.67 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.279 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.606 ' HD2' ' O ' ' A' ' 94' ' ' THR . 39.3 Cg_exo -61.95 -31.69 84.48 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.498 2.132 . . . . 0.0 111.448 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.86 160.55 32.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.673 175.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -111.11 8.12 29.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.276 -0.964 . . . . 0.0 114.133 -172.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.69 104.41 4.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.951 0.876 . . . . 0.0 112.222 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.3 154.92 15.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 m -140.36 112.52 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.564 0.682 . . . . 0.0 111.47 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 83' ' ' LEU . 57.2 tp -98.4 126.29 43.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HE2' HG22 ' A' ' 67' ' ' VAL . 96.2 mttt -116.59 153.5 32.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.04 0.447 . . . . 0.0 110.62 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.5 ttm -88.29 160.34 17.7 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.68 ' HB3' ' HG3' ' A' ' 82' ' ' ARG . 3.2 p -48.87 -34.0 11.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.13 -23.35 62.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.374 . . . . 0.0 111.521 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.82 -6.08 25.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.781 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.8 m -64.23 120.05 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.099 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.426 HG22 ' HE2' ' A' ' 61' ' ' LYS . 96.6 t -76.97 125.68 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.5 mt -95.24 126.41 40.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -94.52 146.05 30.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 26.3 Cg_endo -62.98 140.81 81.18 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.38 2.054 . . . . 0.0 111.864 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 88.8 m-20 73.6 -5.79 1.92 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.622 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.83 156.99 16.35 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 48' ' ' PHE . 28.3 tp -111.71 125.9 54.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.067 0.461 . . . . 0.0 110.999 -173.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.4 m-85 -125.77 144.83 49.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.277 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.8 Cg_exo -82.03 142.16 12.2 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.829 2.353 . . . . 0.0 112.063 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.45 HD21 ' HB ' ' A' ' 49' ' ' ILE . 96.9 mt -83.66 142.96 43.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.26 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.1 -8.39 22.76 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.8 2.333 . . . . 0.0 113.481 -175.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.01 34.81 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.97 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.59 -38.86 87.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.371 . . . . 0.0 111.119 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.499 HG22 ' HG3' ' A' ' 35' ' ' GLN . 11.5 p -107.08 116.5 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -155.07 -174.22 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.68 ' HG3' ' HB3' ' A' ' 63' ' ' SER . 3.3 ptp85 -147.82 144.89 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.948 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' HB3' HD11 ' A' ' 60' ' ' LEU . 95.8 mt -110.78 119.54 39.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.075 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 82.1 m-85 -87.33 97.62 10.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.85 0.357 . . . . 0.0 110.195 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -80.67 123.84 28.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.298 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.2 m -98.84 110.13 22.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.157 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 8.6 m -72.8 110.17 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.198 -175.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.03 -16.68 24.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.1 m -136.76 143.02 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.644 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.8 m -105.37 -2.05 24.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -69.27 176.62 3.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.986 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.644 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . 34.3 tt0 -75.02 102.3 4.79 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.454 0.645 . . . . 0.0 110.382 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 112' ' ' SER . 18.1 pt20 -117.15 148.39 41.62 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.259 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.606 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 28.3 m -124.73 118.83 27.31 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.003 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.64 123.68 72.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.035 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -109.54 111.28 22.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.2 t -103.34 122.26 55.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -100.99 125.15 47.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.929 0.395 . . . . 0.0 110.429 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 90.2 m-85 -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 29.0 pt20 -131.73 143.09 50.0 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -133.7 172.19 13.11 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.466 -178.072 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -75.65 -11.52 60.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.75 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.552 ' HD1' ' CE2' ' A' ' 42' ' ' PHE . 53.0 t80 -78.38 -24.18 46.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.118 0.485 . . . . 0.0 109.805 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.46 6.83 12.82 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.986 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 37.7 tt0 -70.8 135.05 47.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 99' ' ' PHE . 54.3 tp -146.03 114.3 6.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.72 129.08 47.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.239 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.51 113.64 27.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.254 0.549 . . . . 0.0 110.014 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.405 HD12 ' HE2' ' A' ' 99' ' ' PHE . 61.2 mt -103.93 109.29 20.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.355 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -103.43 113.69 27.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.203 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -119.85 128.69 53.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 110.989 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 7.8 p -122.71 141.18 52.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.579 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.541 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 80.6 m-85 -113.0 164.78 13.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.644 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . 22.5 t-20 77.4 127.25 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.36 1.038 . . . . 0.0 112.419 173.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -143.56 39.33 1.4 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -130.01 141.89 50.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.866 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.4 m 63.63 -177.49 0.16 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.326 0.584 . . . . 0.0 111.694 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' A' ' 121' ' ' GLU . 42.1 m -146.92 -74.38 0.21 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.514 174.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 32.3 ttmt 66.71 10.33 7.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.902 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 59.16 72.65 0.52 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.491 0.663 . . . . 0.0 109.263 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 121' ' ' GLU . 1.5 mp0 -56.51 124.31 17.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.645 -1.162 . . . . 0.0 112.201 -171.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.75 112.26 25.16 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 171.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.9 mp -84.14 110.18 18.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.998 0.427 . . . . 0.0 110.087 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -86.25 101.91 13.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.598 0.713 . . . . 0.0 111.167 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -145.45 25.08 1.37 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -94.96 -79.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.172 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 54.6 -167.66 0.08 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.47 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -132.78 155.45 48.89 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -88.87 29.29 1.04 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.508 0.194 . . . . 0.0 110.769 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 46.1 m80 . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.236 -175.289 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' O ' ' HG3' ' A' ' 1' ' ' MET . 18.6 ptp . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.899 0.38 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 3' ' ' ASP . 3.5 p-10 -161.3 -168.44 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.352 -0.218 . . . . 0.0 111.195 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 46.0 m-20 80.01 -70.29 0.09 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.213 1.005 . . . . 0.0 110.681 -178.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 57.1 -96.49 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.578 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 m -139.38 -0.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.125 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -97.58 124.89 42.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.295 0.569 . . . . 0.0 111.704 -172.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.8 mt -132.89 -56.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.267 -0.878 . . . . 0.0 108.94 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -173.53 -50.48 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.557 -1.201 . . . . 0.0 107.917 173.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.666 ' HG3' HE22 ' A' ' 105' ' ' GLN . 0.4 OUTLIER -70.1 -53.3 17.99 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.692 174.359 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.8 m 58.9 11.63 1.98 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.335 170.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 50.36 81.94 0.25 Allowed Pre-proline 0 N--CA 1.467 0.393 0 C-N-CA 123.1 0.56 . . . . 0.0 111.28 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.17 11.88 2.48 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.869 2.379 . . . . 0.0 113.469 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' HE1' ' HB3' ' A' ' 105' ' ' GLN . 6.4 p90 -119.4 139.47 51.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.839 0.352 . . . . 0.0 110.131 177.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p -119.22 133.79 55.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 110.956 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.9 mt -102.98 115.49 45.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.049 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -85.73 115.58 23.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.843 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.428 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.6 p -108.25 121.85 45.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.665 0.269 . . . . 0.0 110.975 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.24 135.04 94.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.512 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.12 116.1 2.81 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.067 2.511 . . . . 0.0 112.421 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -79.74 162.79 61.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.985 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.16 125.82 15.93 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.202 1.935 . . . . 0.0 111.211 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.59 -27.06 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.019 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -103.51 113.05 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.835 0.35 . . . . 0.0 110.229 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.1 mt -132.05 152.94 50.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.105 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 87' ' ' SER . 99.6 mttt -122.86 166.09 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.86 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' A' ' 88' ' ' ALA . 59.9 t -67.57 111.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.02 -10.26 24.98 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.165 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 86' ' ' THR . 65.2 mm-40 -83.93 141.46 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.529 0.204 . . . . 0.0 110.542 178.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.3 m -113.9 123.18 49.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.27 126.59 52.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.432 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -86.1 99.55 11.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 39.5 mt -88.25 99.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.633 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.6 ttt180 -86.54 123.54 31.85 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.968 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 30.6 m -116.93 126.39 52.88 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -110.92 112.32 24.07 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 115.76 21.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -82.42 118.86 23.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.137 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.585 ' HD3' ' OH ' ' A' ' 47' ' ' TYR . 20.9 mtm180 -102.6 135.79 43.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.106 0.479 . . . . 0.0 111.881 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.96 -23.79 67.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.418 170.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.14 -146.88 18.36 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 67.96 -66.16 0.23 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.227 0.611 . . . . 0.0 112.409 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -88.39 101.37 13.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.853 0.359 . . . . 0.0 110.627 -176.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -81.58 98.93 8.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.011 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 51.45 73.39 0.31 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.356 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 t -99.96 -169.64 1.77 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.973 -177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -83.53 107.08 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.978 0.418 . . . . 0.0 110.836 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.857 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 67.5 m-85 -98.45 145.12 27.07 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 173.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.645 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 60.5 m-85 -121.67 135.27 54.97 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.652 0.263 . . . . 0.0 111.111 -174.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.86 135.02 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.304 0.573 . . . . 0.0 111.297 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HD2' HD12 ' A' ' 73' ' ' LEU . 2.9 ptm180 -153.18 137.9 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 172.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.3 p90 -111.8 144.43 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.504 -176.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -120.63 144.42 48.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -133.13 103.24 12.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.84 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.483 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.9 Cg_exo -59.55 -47.16 17.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.957 1.772 . . . . 0.0 110.318 173.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.41 122.69 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.988 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.474 ' HA3' ' HB2' ' A' ' 93' ' ' GLN . . . 148.67 174.1 20.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.539 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.5 127.55 4.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 111.248 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' HA3' ' CE1' ' A' ' 85' ' ' TYR . . . -169.9 165.98 39.27 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.822 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.442 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 33.7 m -103.81 111.6 24.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' ' 83' ' ' LEU . 42.6 tp -106.43 119.2 38.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.391 . . . . 0.0 110.416 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.63 145.38 43.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.181 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.4 ttp -83.91 157.78 21.83 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.454 ' HB2' ' H ' ' A' ' 82' ' ' ARG . 22.7 t -47.37 -31.61 4.15 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.77 -12.02 59.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.866 0.365 . . . . 0.0 111.0 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.57 -7.75 30.13 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -66.68 119.85 12.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.899 0.381 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.7 t -73.49 121.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.443 HD12 ' HG ' ' A' ' 60' ' ' LEU . 70.8 mt -89.68 117.58 28.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.347 -175.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.26 147.23 40.02 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.011 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 -5.36 13.59 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.925 2.416 . . . . 0.0 112.26 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -75.06 -29.76 60.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -127.05 173.42 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.628 0.727 . . . . 0.0 112.014 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.516 HD12 ' HD2' ' A' ' 50' ' ' ARG . 6.5 tt -127.41 132.61 50.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.195 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 98.8 m-85 -118.43 150.59 48.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.423 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 7.7 Cg_endo -89.1 132.64 2.31 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.411 2.741 . . . . 0.0 112.963 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.857 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 93.4 mt -80.68 127.68 74.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.317 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.83 -36.52 2.04 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.695 2.263 . . . . 0.0 114.042 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.69 176.94 22.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.236 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 2.9 mp0 -68.26 -37.26 80.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.211 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.0 t -97.81 93.06 6.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 110.42 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 17.5 p90 -112.88 131.61 55.65 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.36 0.6 . . . . 0.0 110.068 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.454 ' H ' ' HB2' ' A' ' 63' ' ' SER . 53.4 mtm-85 -110.47 125.64 53.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 60' ' ' LEU . 80.1 mt -102.19 115.35 30.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -90.0 100.72 13.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.045 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.522 ' CE1' ' HA3' ' A' ' 58' ' ' GLY . 84.6 t80 -99.47 110.36 22.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.004 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.442 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 45.6 m -92.6 113.91 26.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.315 172.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 17.8 m -65.34 135.68 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.909 -175.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -124.74 6.8 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -139.79 168.24 20.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.353 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -125.89 -23.54 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.23 165.72 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -56.34 111.98 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.441 0.463 . . . . 0.0 111.16 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.474 ' HB2' ' HA3' ' A' ' 56' ' ' GLY . 23.3 pt20 -119.36 151.08 39.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.248 0.547 . . . . 0.0 110.945 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.483 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 61.4 m -130.7 116.62 18.29 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.26 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -116.67 107.34 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.329 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 11.5 p-10 -103.44 113.28 26.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.7 0.762 . . . . 0.0 110.523 177.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 40.5 t -94.41 135.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.637 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.531 ' HB3' HD11 ' A' ' 106' ' ' LEU . 27.8 m-85 -104.51 121.16 42.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.68 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.408 ' HE2' HD12 ' A' ' 109' ' ' LEU . 73.0 m-85 -109.87 126.32 53.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.929 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.645 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 64.6 tt0 -122.72 154.63 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -125.4 178.26 5.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.894 0.378 . . . . 0.0 111.031 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.8 m -77.54 -7.66 56.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.621 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.22 -14.31 44.29 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.28 14.8 29.58 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.052 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.666 HE22 ' HG3' ' A' ' 9' ' ' GLN . 15.0 mm-40 -86.42 144.23 27.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 98' ' ' TYR . 31.5 tp -136.53 115.78 12.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.78 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -125.77 124.69 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.984 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 27.6 pt20 -105.3 142.45 35.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.491 . . . . 0.0 110.892 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.408 HD12 ' HE2' ' A' ' 99' ' ' PHE . 89.7 mt -120.54 118.5 30.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.551 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 12.1 m -95.05 116.06 28.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.171 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -109.33 119.66 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 57.7 p -92.65 117.83 30.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -109.65 143.37 39.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 39.44 49.86 1.97 Allowed 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.506 1.129 . . . . 0.0 113.073 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 118' ' ' SER . 3.3 m-20 -72.78 -20.5 61.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 176.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.7 t70 62.84 -92.24 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.422 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.8 m -121.09 1.38 10.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.012 0.434 . . . . 0.0 110.757 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 35.0 m -91.48 96.65 10.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.107 0.48 . . . . 0.0 110.256 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.648 ' H ' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -113.36 25.6 11.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.399 0.619 . . . . 0.0 109.91 179.657 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.43 132.24 45.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.883 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.49 60.47 3.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.479 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 59.13 97.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.484 HD22 ' H ' ' A' ' 123' ' ' LEU . 3.1 mm? -56.17 -61.11 2.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.794 -177.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -86.77 65.92 9.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -54.43 108.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.51 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -127.84 -24.95 3.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.442 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -95.64 85.06 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -132.05 5.03 4.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -165.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.4 p80 46.03 -159.94 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.532 0.52 . . . . 0.0 111.632 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.663 173.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.583 ' HB2' ' OD2' ' A' ' 3' ' ' ASP . 22.7 mmt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -60.08 -19.36 52.75 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.219 0.533 . . . . 0.0 110.87 176.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.583 ' OD2' ' HB2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -62.7 -19.34 63.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.085 172.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.4 t70 66.9 110.56 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.159 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -96.23 113.63 31.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -91.82 -153.78 0.34 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.582 -175.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -62.75 -30.2 48.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.051 0.453 . . . . 0.0 110.117 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.86 129.6 40.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.343 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -96.08 165.88 12.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.014 0.435 . . . . 0.0 111.16 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -101.53 -3.34 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.891 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 60.23 85.15 0.19 Allowed Pre-proline 0 C--N 1.333 -0.116 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.109 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -89.18 150.97 5.61 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.952 2.435 . . . . 0.0 111.939 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 97.8 m-85 -85.26 138.68 32.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.298 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 t -150.14 170.54 18.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.392 -176.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG12 ' HA ' ' A' ' 36' ' ' LEU . 35.1 mt -132.44 133.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.998 0.427 . . . . 0.0 110.787 -175.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.32 150.98 22.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.418 HG22 ' SG ' ' A' ' 34' ' ' CYS . 19.6 p -130.69 157.44 42.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.847 0.356 . . . . 0.0 111.416 -174.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.414 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 65.3 mtt -94.04 124.4 56.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 57.3 Cg_exo -53.35 135.98 61.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.383 2.722 . . . . 0.0 113.649 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG11 HG12 ' A' ' 32' ' ' ILE . 35.5 m -95.63 165.86 15.77 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.106 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -61.18 151.95 75.26 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.762 2.308 . . . . 0.0 111.583 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 114' ' ' ASN . 0.3 OUTLIER -97.13 -17.26 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.749 -176.601 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.712 ' HE3' ' HB3' ' A' ' 114' ' ' ASN . 29.1 mmtp -137.44 118.71 14.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 176.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD23 ' HG3' ' A' ' 28' ' ' GLU . 5.1 mp -125.08 169.12 12.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.35 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -90.94 161.04 15.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.031 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.29 112.69 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.72 -8.99 25.83 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' HG3' HD23 ' A' ' 24' ' ' LEU . 12.4 tp10 -82.51 143.94 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -124.95 121.43 34.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.034 0.445 . . . . 0.0 110.902 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.504 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -96.1 126.85 41.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.404 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.93 101.98 14.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 0.0 110.623 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.534 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 23.4 mt -83.52 98.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -83.12 120.23 25.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 17' ' ' THR . 31.9 m -117.65 134.47 54.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.946 -172.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.473 ' OE1' HG23 ' A' ' 80' ' ' THR . 15.2 mm100 -122.86 121.5 36.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HA ' HG12 ' A' ' 15' ' ' ILE . 1.1 tp -82.36 138.57 34.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.429 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 83.6 t60 -90.66 102.96 15.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.865 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 23.3 tpp180 -119.58 106.65 12.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.51 -177.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -91.73 -63.67 1.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.491 ' O ' ' HD2' ' A' ' 38' ' ' ARG . . . -68.0 103.72 1.04 Allowed Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -74.94 132.18 41.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.082 0.468 . . . . 0.0 111.048 -175.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -144.53 -55.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.683 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 73.38 -34.13 0.28 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.874 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.54 -27.52 69.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.411 0.624 . . . . 0.0 109.429 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m -61.98 113.99 3.13 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.373 172.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.37 142.1 28.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.438 0.637 . . . . 0.0 111.858 -169.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.693 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 25.5 m-85 -98.63 128.21 44.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.303 -177.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.521 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 97.6 m-85 -119.64 123.44 43.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.97 0.414 . . . . 0.0 110.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.8 tt -109.74 139.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.66 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' HB2' HD23 ' A' ' 73' ' ' LEU . 15.8 ttp180 -154.46 134.71 13.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.301 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -108.19 150.42 27.28 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.97 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -105.15 132.45 51.36 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' NE2' ' HB3' ' A' ' 57' ' ' ALA . 5.8 tp60 -117.89 83.03 17.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.68 -175.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -83.82 -16.17 6.67 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.588 2.192 . . . . 0.0 111.92 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -118.27 160.62 21.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.417 -171.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.37 77.49 2.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.154 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HA ' ' HG2' ' A' ' 93' ' ' GLN . . . -106.15 -159.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.463 0.173 . . . . 0.0 111.036 -178.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.73 -146.59 18.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.488 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 m -105.08 141.07 37.3 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.235 0.214 . . . . 0.0 111.068 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -117.12 117.88 30.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -113.67 152.63 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.566 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.404 ' SD ' ' HB ' ' A' ' 66' ' ' THR . 62.1 mtp -86.81 163.65 17.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.992 176.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.452 ' HB2' ' H ' ' A' ' 82' ' ' ARG . 13.2 t -53.6 -28.04 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 110.999 175.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.97 -14.21 61.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.46 6.98 69.97 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -172.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.404 ' HB ' ' SD ' ' A' ' 62' ' ' MET . 63.5 m -80.76 130.49 35.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.573 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.1 t -85.07 127.64 39.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 0.0 110.176 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.5 mt -86.43 142.72 28.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.569 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -113.35 133.53 22.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.21 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.02 62.3 8.48 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.695 2.263 . . . . 0.0 113.196 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -155.59 -51.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.169 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.17 175.44 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.533 HD23 ' HB2' ' A' ' 50' ' ' ARG . 93.2 mt -101.68 129.35 47.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 111.629 -174.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 37.7 m-85 -105.76 132.59 20.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.573 176.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 14.1 Cg_exo -69.98 129.84 18.06 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 111.929 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.693 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 78.7 mt -71.91 143.91 87.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.294 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.87 -15.42 50.31 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.849 2.366 . . . . 0.0 112.293 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.49 -147.36 9.82 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.087 -0.578 . . . . 0.0 111.785 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -121.17 -5.57 9.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.523 . . . . 0.0 110.526 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.473 HG23 ' OE1' ' A' ' 35' ' ' GLN . 51.7 m -120.96 103.99 9.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 169.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -152.99 172.73 16.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 111.632 -173.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' H ' ' HB2' ' A' ' 63' ' ' SER . 0.1 OUTLIER -123.07 145.83 48.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.024 177.123 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.534 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.8 mt -114.55 118.4 33.64 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -94.8 104.58 16.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.119 0.485 . . . . 0.0 110.971 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.476 ' OH ' ' HB1' ' A' ' 57' ' ' ALA . 88.5 t80 -94.11 112.19 23.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.2 m -92.11 111.62 23.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.092 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.6 t -66.88 109.35 2.89 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.65 11.28 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.948 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -122.24 142.29 50.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.176 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 p -86.82 -21.47 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.642 0.734 . . . . 0.0 109.571 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -86.37 172.57 10.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.912 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.59 144.19 52.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' A' ' 57' ' ' ALA . 47.3 mt-30 -121.2 123.77 43.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.995 0.426 . . . . 0.0 111.149 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 m -122.87 120.27 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.216 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.37 128.07 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.58 0.229 . . . . 0.0 111.112 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -102.43 112.36 25.05 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.389 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.37 123.31 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.732 0.301 . . . . 0.0 110.772 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.41 127.52 54.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.417 ' HE2' HD12 ' A' ' 109' ' ' LEU . 98.2 m-85 -110.24 116.73 32.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -113.35 130.71 56.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.07 0.462 . . . . 0.0 111.101 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.599 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 12.1 t70 -109.28 143.78 38.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.318 177.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 p -74.44 -4.34 36.03 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -79.51 -9.87 59.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.519 0.676 . . . . 0.0 109.742 174.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.66 23.95 6.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.186 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 86.4 mm-40 -103.82 140.8 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.763 0.316 . . . . 0.0 110.444 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -140.86 115.93 9.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -113.75 133.53 55.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.82 125.02 48.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.018 0.437 . . . . 0.0 110.638 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.417 HD12 ' HE2' ' A' ' 99' ' ' PHE . 70.6 mt -117.9 111.52 19.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.093 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 m -91.75 119.52 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.308 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.18 117.95 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.929 0.395 . . . . 0.0 110.072 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 m -124.45 118.5 26.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -78.89 175.79 10.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.447 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.712 ' HB3' ' HE3' ' A' ' 23' ' ' LYS . 3.0 t-20 -51.26 107.16 0.16 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.283 -176.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -112.77 127.81 56.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.261 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -114.45 9.88 16.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.217 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.2 m 71.19 130.3 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 O-C-N 124.03 0.831 . . . . 0.0 111.702 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.1 t -174.04 -52.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.865 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -84.23 107.31 16.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.651 0.739 . . . . 0.0 112.689 -171.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.4 46.33 2.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 169.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -121.1 -178.12 3.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.169 -171.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -82.44 135.41 35.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.971 -177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.0 mp -93.28 -165.53 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.149 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.36 168.12 20.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.053 0.454 . . . . 0.0 111.275 -178.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -69.92 -62.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.088 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -140.2 84.21 1.95 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.918 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -84.25 70.59 10.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.467 0.651 . . . . 0.0 111.051 -173.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -179.35 98.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.962 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 44.8 t60 64.0 99.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.541 0.686 . . . . 0.0 111.8 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.3 t60 . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.425 175.002 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 121.044 0.45 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -131.66 -74.87 0.52 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' HB3' ' H ' ' A' ' 4' ' ' ASP . 8.2 m-20 -135.36 -144.72 0.21 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 3' ' ' ASP . 2.4 m-20 -70.78 177.17 3.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 175.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.0 p -95.6 5.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.704 0.764 . . . . 0.0 109.825 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.39 83.35 1.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.45 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.423 ' O ' HG12 ' A' ' 7' ' ' ILE . 14.2 tt -151.27 15.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.011 0.91 . . . . 0.0 109.014 175.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -105.7 -11.84 16.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.028 -173.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.49 175.11 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.761 0.315 . . . . 0.0 110.687 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 t -64.86 137.78 57.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.005 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -75.77 140.36 70.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.728 176.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.63 -49.63 5.33 Favored 'Trans proline' 0 CA--C 1.517 -0.351 0 C-N-CA 122.34 2.027 . . . . 0.0 111.636 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.499 ' HD1' ' HA ' ' A' ' 38' ' ' ARG . 92.6 m-85 -141.99 153.36 44.22 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.333 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.9 t -116.72 135.26 53.91 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.7 mt -111.83 125.98 69.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 110.628 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.05 135.85 44.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.92 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.1 p -125.04 138.47 54.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.956 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 33' ' ' ARG . 1.3 mpt? -77.75 134.3 65.24 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 177.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 35.3 Cg_exo -60.82 159.87 27.34 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.267 2.645 . . . . 0.0 113.105 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG21 ' HE1' ' A' ' 113' ' ' PHE . 22.1 m -115.98 165.55 14.45 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.909 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.77 147.17 74.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.603 2.202 . . . . 0.0 112.096 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -80.08 2.18 24.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.636 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -141.93 123.27 14.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.0 mt -136.9 115.7 12.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.375 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -109.49 -179.87 3.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.522 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' ' 89' ' ' SER . 23.3 t -64.8 121.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.05 0.452 . . . . 0.0 111.177 -175.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.15 -3.69 51.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.536 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.98 145.18 24.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.785 0.326 . . . . 0.0 110.401 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -117.1 115.74 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.57 116.51 28.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.192 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -87.22 100.62 12.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.208 0.528 . . . . 0.0 110.153 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -95.04 99.76 9.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.488 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HB2' ' SD ' ' A' ' 18' ' ' MET . 67.4 mtt180 -82.01 124.19 29.57 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.741 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 17' ' ' THR . 39.2 m -117.79 126.38 52.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.33 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 27.4 tt0 -131.17 113.53 13.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.178 0.513 . . . . 0.0 111.057 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -83.58 116.71 22.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -84.83 109.7 18.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.987 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.504 ' HG3' ' CG ' ' A' ' 79' ' ' GLU . 5.8 mmm180 -83.99 119.98 25.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.998 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.54 -41.28 97.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.063 0.459 . . . . 0.0 109.875 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -148.38 -118.03 0.96 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.536 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -130.18 -63.46 0.9 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.48 0.181 . . . . 0.0 111.19 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.8 t80 65.67 -81.26 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.112 0 O-C-N 123.972 0.795 . . . . 0.0 109.53 -167.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -154.24 -170.1 3.44 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.04 66.4 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 0.0 109.722 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -60.8 114.68 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.594 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -82.5 117.12 22.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.339 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB2' HD12 ' A' ' 76' ' ' LEU . 33.5 m-85 -98.16 134.57 41.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 73' ' ' LEU . 94.6 m-85 -115.4 140.63 48.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -177.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.447 HG12 ' CE2' ' A' ' 51' ' ' TYR . 14.5 tt -115.92 129.77 71.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -135.88 134.28 38.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.676 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -127.47 105.76 8.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.826 0.346 . . . . 0.0 110.647 -169.325 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.6 116.02 28.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -104.43 103.49 39.65 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.1 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.95 -46.46 19.34 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.595 2.197 . . . . 0.0 111.587 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -154.82 120.79 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.829 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.24 169.79 30.31 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.674 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.16 98.29 3.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.07 173.23 29.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.74 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.7 m -125.16 113.35 17.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.839 0.352 . . . . 0.0 110.247 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.812 ' HG ' HD12 ' A' ' 68' ' ' LEU . 50.1 tp -104.44 119.68 39.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 0.0 110.365 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 47.9 mtmt -124.61 149.77 46.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.412 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.6 ttm -85.0 153.27 22.86 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.574 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 5.5 p -53.27 -28.1 26.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 112.033 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.65 19.12 5.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.94 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.37 -1.04 88.64 Favored Glycine 0 C--N 1.334 0.457 0 CA-C-N 115.679 -0.692 . . . . 0.0 113.502 172.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 m -74.45 116.84 15.59 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.716 -0.284 . . . . 0.0 110.916 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.6 t -78.07 118.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 109.806 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.812 HD12 ' HG ' ' A' ' 60' ' ' LEU . 56.1 mt -92.07 117.86 30.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.702 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 94.6 mt -105.35 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.249 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.428 ' HA ' ' HD1' ' A' ' 51' ' ' TYR . 71.5 Cg_exo -52.47 -40.71 71.06 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 123.435 2.757 . . . . 0.0 113.952 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -92.26 16.05 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.382 0.61 . . . . 0.0 110.719 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.75 173.26 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.94 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 48' ' ' PHE . 48.5 tp -137.53 122.61 19.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.668 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HD2' ' OH ' ' A' ' 51' ' ' TYR . 82.7 m-85 -120.37 141.25 31.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.669 0.271 . . . . 0.0 111.247 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.37 141.27 15.86 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.615 2.21 . . . . 0.0 111.38 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -74.93 144.54 79.79 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.55 -35.96 35.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.03 2.487 . . . . 0.0 112.314 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.38 -155.69 13.78 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.501 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.504 ' CG ' ' HG3' ' A' ' 38' ' ' ARG . 2.2 mp0 -64.32 -49.33 72.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.727 0.298 . . . . 0.0 111.525 -178.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.445 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 12.9 t -112.31 137.71 50.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 0.0 110.887 -175.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -154.98 169.3 24.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.971 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.574 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 0.2 OUTLIER -128.2 132.02 48.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -176.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.542 ' HB3' HD11 ' A' ' 60' ' ' LEU . 81.6 mt -109.11 122.22 46.82 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -97.62 103.21 15.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -88.19 101.94 14.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.751 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 m -89.08 110.61 21.31 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.702 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 m -73.39 108.15 6.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.489 . . . . 0.0 110.751 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.63 6.4 47.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.484 0.659 . . . . 0.0 109.77 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.418 ' HA ' HG22 ' A' ' 26' ' ' VAL . 45.8 t -155.51 159.32 39.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.24 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.6 t -118.57 9.67 12.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.329 0.585 . . . . 0.0 109.771 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -83.09 -167.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.165 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.555 ' HG2' ' HB2' ' A' ' 114' ' ' ASN . 9.8 tm0? -73.29 115.43 12.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.653 ' HG3' ' HB2' ' A' ' 113' ' ' PHE . 9.7 pt20 -131.72 115.44 16.02 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.455 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 m -114.0 125.03 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.778 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -128.81 116.53 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.406 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.8 111.25 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.21 112.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.157 0.503 . . . . 0.0 110.441 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -101.52 129.58 47.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.402 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.84 112.61 24.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 16.6 pt20 -109.02 128.95 55.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.576 0.703 . . . . 0.0 110.94 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 11.2 t70 -83.45 168.38 16.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.76 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 t -74.59 -18.38 60.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -79.31 -14.41 59.02 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.743 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.68 4.65 52.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.69 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.409 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 0.7 OUTLIER -69.25 122.64 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.795 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.72 116.49 29.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -175.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -110.53 146.31 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 136.4 45.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.929 0.395 . . . . 0.0 111.465 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.8 mt -128.87 112.52 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 m -92.49 119.01 31.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.975 0.417 . . . . 0.0 111.066 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.68 118.82 37.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.902 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 m -122.49 111.87 17.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.85 0.357 . . . . 0.0 110.491 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.653 ' HB2' ' HG3' ' A' ' 93' ' ' GLN . 76.9 m-85 -110.22 125.96 53.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.555 ' HB2' ' HG2' ' A' ' 92' ' ' GLN . 53.9 t30 -154.98 98.86 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.855 0.36 . . . . 0.0 110.548 174.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -121.35 123.41 42.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.31 0.576 . . . . 0.0 110.211 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.55 123.88 19.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.187 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.8 m -138.61 176.74 8.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.0 p 55.32 25.3 7.35 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.117 0.967 . . . . 0.0 112.905 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -91.52 90.09 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.641 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 52.65 48.32 22.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.341 173.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -74.94 -28.97 60.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.077 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 68.61 -72.22 0.1 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.348 1.03 . . . . 0.0 112.165 172.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.67 131.7 49.77 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.47 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.92 111.66 2.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.426 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -107.59 120.5 42.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.525 -171.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -105.92 140.22 39.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.346 -175.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -158.48 17.8 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.118 0.485 . . . . 0.0 110.763 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -151.88 85.82 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.527 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -171.69 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.77 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 C--O 1.245 0.825 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -176.894 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -119.6 139.38 52.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.768 0.318 . . . . 0.0 110.627 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.55 -27.3 51.48 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 170.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.7 t70 69.02 -93.65 0.03 OUTLIER 'General case' 0 C--O 1.234 0.278 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.117 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t 40.38 70.18 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.879 0.737 . . . . 0.0 111.509 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -99.1 109.2 21.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.148 0.499 . . . . 0.0 110.555 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.0 tt -125.75 -32.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.933 177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 67.73 -58.98 0.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.552 0.741 . . . . 0.0 112.496 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -100.3 96.4 7.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.135 0.493 . . . . 0.0 111.262 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.2 t -106.84 -171.38 1.88 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -133.7 98.07 15.14 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.815 0.341 . . . . 0.0 111.117 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.02 137.68 73.48 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.996 2.464 . . . . 0.0 111.358 176.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 26.2 m-85 -90.43 138.34 31.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -174.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -99.22 132.53 44.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.766 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -110.93 111.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 0.0 110.371 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -101.91 116.16 32.1 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.745 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.3 p -92.36 136.77 32.93 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.401 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.9 mtt -68.98 135.62 89.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.9 107.77 0.17 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.251 2.634 . . . . 0.0 113.185 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.37 155.11 76.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.915 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.78 131.26 28.63 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.705 2.27 . . . . 0.0 111.899 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -85.32 6.55 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.61 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.778 ' HD2' ' HA ' ' A' ' 114' ' ' ASN . 14.0 mmmm -144.08 124.96 14.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.361 176.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 28' ' ' GLU . 6.9 tp -146.82 129.83 16.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.648 0.261 . . . . 0.0 110.522 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HB2' ' HG3' ' A' ' 28' ' ' GLU . 67.5 mttm -78.63 167.35 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.291 0.567 . . . . 0.0 111.466 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' ' 88' ' ' ALA . 47.4 t -68.44 118.1 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.041 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.48 -19.52 28.86 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.563 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.616 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . 25.8 mt-10 -73.12 139.84 46.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.4 . . . . 0.0 110.257 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -116.99 117.52 29.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.524 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.9 126.2 52.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.379 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -85.56 103.41 14.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.462 0.648 . . . . 0.0 110.573 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.68 99.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.517 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -83.36 116.31 22.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.325 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.66 131.06 55.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.099 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -111.23 111.05 21.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.354 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 10.6 tt -97.07 121.43 38.94 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -85.26 101.01 12.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ttp180 -93.75 105.97 17.97 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -105.63 -35.04 7.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.987 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.64 107.17 3.0 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.723 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' HG2' ' H ' ' A' ' 41' ' ' ARG . 2.7 ptt180 -56.34 118.29 4.62 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 171.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.827 ' HB2' ' HB ' ' A' ' 45' ' ' THR . 54.6 p90 -111.29 156.42 21.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.311 -167.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -116.69 -67.18 1.01 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.637 172.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 -16.29 24.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.193 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.827 ' HB ' ' HB2' ' A' ' 42' ' ' PHE . 25.0 m -69.23 78.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.845 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -104.54 152.97 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 12.4 m-85 -98.9 135.87 39.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.052 -171.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -123.74 142.72 50.82 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.875 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.711 HD11 ' HE1' ' A' ' 51' ' ' TYR . 17.6 tt -109.45 129.39 64.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.441 0.639 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.81 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 23.9 tpt180 -125.33 140.66 52.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.322 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.711 ' HE1' HD11 ' A' ' 49' ' ' ILE . 3.5 m-85 -131.09 148.76 52.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.827 0.346 . . . . 0.0 111.16 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -141.14 125.8 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.188 173.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -121.32 102.41 42.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.092 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.684 ' HD2' ' O ' ' A' ' 94' ' ' THR . 50.2 Cg_exo -54.69 -34.4 83.72 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.889 2.392 . . . . 0.0 111.809 173.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.717 ' HB3' ' HG3' ' A' ' 93' ' ' GLN . 31.3 t70 -86.18 -81.56 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.86 -4.05 32.09 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.869 170.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.22 97.7 8.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 110.879 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.96 172.01 33.72 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.468 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -124.69 121.86 35.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.7 tp -123.17 123.38 40.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.692 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -128.27 146.32 50.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.113 0.483 . . . . 0.0 110.831 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.8 ttm -75.17 162.32 28.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.238 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.3 t -51.07 -31.45 18.94 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -87.97 6.35 36.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.679 0.275 . . . . 0.0 111.71 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.26 -16.82 60.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.803 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -58.68 115.28 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.658 0.266 . . . . 0.0 111.017 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.42 133.18 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.794 0.33 . . . . 0.0 110.184 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.479 HD11 HD22 ' A' ' 83' ' ' LEU . 79.3 mt -101.5 101.9 12.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.592 -177.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 91.5 mt -105.14 142.9 25.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.983 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 6.2 Cg_exo -73.92 26.94 0.33 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.264 2.643 . . . . 0.0 113.467 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -111.24 -50.96 2.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -101.1 175.07 5.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.314 0.578 . . . . 0.0 111.74 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.3 tp -111.97 134.3 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.78 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 88.8 m-85 -123.48 144.75 44.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.649 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.4 Cg_exo -80.29 144.22 16.18 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.983 2.455 . . . . 0.0 112.509 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.618 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.8 mt -86.02 147.83 46.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.993 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.75 -51.8 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.111 2.541 . . . . 0.0 112.855 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.48 -141.14 3.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.443 ' HA ' ' HB3' ' A' ' 36' ' ' LEU . 3.3 mp0 -72.63 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.963 0.411 . . . . 0.0 111.357 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -105.98 125.2 50.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.653 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -146.74 156.95 43.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.557 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 82' ' ' ARG . 13.9 ptp180 -117.65 140.89 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.662 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 68' ' ' LEU . 52.0 mt -120.41 119.09 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.653 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -87.42 109.12 19.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 0.0 111.268 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 87' ' ' SER . 68.0 t80 -99.98 105.93 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.12 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.2 m -94.05 107.93 19.81 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.333 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.578 ' HB2' HD23 ' A' ' 24' ' ' LEU . 18.6 t -79.66 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 -176.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.593 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -120.53 13.01 11.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.435 0.636 . . . . 0.0 109.393 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.518 ' HB2' HE21 ' A' ' 93' ' ' GLN . 6.7 t -87.0 143.85 27.16 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.007 -177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -89.6 -13.76 36.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.427 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -147.56 -160.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 114' ' ' ASN . 54.0 tt0 -59.42 114.01 2.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.152 -176.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.717 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 7.3 tt0 -106.45 123.2 47.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.405 174.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.684 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 14.0 m -88.61 120.37 29.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.149 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.51 106.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.721 0.296 . . . . 0.0 110.47 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.41 111.2 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.185 0.517 . . . . 0.0 110.16 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.563 HG22 ' CE2' ' A' ' 51' ' ' TYR . 18.5 t -100.86 134.49 40.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.209 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.81 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 78.6 m-85 -123.88 119.78 30.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.187 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -109.27 112.39 24.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 3.2 pt20 -121.01 161.68 21.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.833 0.349 . . . . 0.0 110.769 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.517 ' OD2' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -141.91 162.42 35.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 179.374 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.2 t -71.54 -18.86 62.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.663 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.443 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 92.1 t80 -79.24 -24.29 43.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.999 0.428 . . . . 0.0 110.304 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.41 13.9 5.09 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.346 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 46.1 tp60 -80.2 134.92 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.016 0.408 . . . . 0.0 110.055 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 100' ' ' GLN . 65.8 tp -141.97 116.43 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.051 0.453 . . . . 0.0 110.114 176.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -108.77 115.89 30.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.498 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.98 110.92 23.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.1 mt -119.18 125.34 48.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.951 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.2 m -112.71 119.6 38.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.0 140.53 45.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.349 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 t -113.6 108.94 17.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.123 0.487 . . . . 0.0 110.537 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -90.85 132.39 35.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.778 ' HA ' ' HD2' ' A' ' 23' ' ' LYS . 6.1 m-20 63.82 60.9 1.01 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -171.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -55.96 158.03 4.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.945 -172.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.16 -49.36 32.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.943 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.429 ' HB3' ' HG2' ' A' ' 120' ' ' GLU . 15.9 t -144.34 -173.17 3.95 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.937 -175.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.8 m -59.19 -47.95 83.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.631 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -159.53 95.37 1.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.598 -176.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.429 ' HG2' ' HB3' ' A' ' 117' ' ' SER . 9.2 pt-20 -162.7 32.68 0.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.25 0.548 . . . . 0.0 110.973 174.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -75.57 -12.15 60.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.834 0.826 . . . . 0.0 109.683 176.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -89.59 24.75 2.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.174 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 120' ' ' GLU . 83.0 mt -110.05 133.77 52.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.703 0.287 . . . . 0.0 111.519 -176.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 125' ' ' HIS . 2.8 mp0 -76.43 93.1 3.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 170.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 124' ' ' GLU . 33.6 t-80 69.91 119.55 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 O-C-N 123.861 0.726 . . . . 0.0 109.609 -169.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -55.46 106.37 0.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.108 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -116.58 2.01 12.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.454 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -100.09 144.28 29.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.904 -1.043 . . . . 0.0 108.943 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 41.0 t60 65.12 93.84 0.06 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.382 0.611 . . . . 0.0 111.014 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.1 p80 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.084 176.762 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.96 0.409 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -136.26 8.96 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.207 0.527 . . . . 0.0 110.269 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -91.93 83.72 5.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.278 -171.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -178.71 177.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.0 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.1 -37.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 10.7 p-10 -112.07 -26.26 8.94 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.59 -174.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 6' ' ' ASP . 69.8 mt 72.72 146.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 O-C-N 123.44 0.462 . . . . 0.0 110.092 -178.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -55.02 161.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 112.088 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -71.46 2.84 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.667 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 m -75.08 61.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.058 0.456 . . . . 0.0 110.721 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -87.92 117.81 68.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.93 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.25 152.63 39.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.549 2.166 . . . . 0.0 112.733 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' HD1' ' HG2' ' A' ' 105' ' ' GLN . 76.1 m-85 -80.87 179.2 7.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.579 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.488 ' HB3' ' CG ' ' A' ' 37' ' ' HIS . 12.6 t -141.03 110.1 6.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.943 0.401 . . . . 0.0 110.24 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.1 mp -108.43 106.23 20.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -101.22 155.17 18.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.644 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 p -118.79 162.49 18.38 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.931 0.396 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ptm -86.38 141.28 34.48 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -45.72 115.3 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.17 2.58 . . . . 0.0 112.905 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.15 151.77 52.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 167.51 24.13 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.651 2.234 . . . . 0.0 111.598 175.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -108.17 9.58 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.649 0.261 . . . . 0.0 111.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -164.11 158.08 18.87 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.696 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 30' ' ' ALA . 95.1 mt -142.73 169.11 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.451 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -123.99 165.51 17.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.766 0.317 . . . . 0.0 110.797 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.89 112.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.39 0.31 58.21 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.963 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 86' ' ' THR . 9.0 tp10 -84.97 141.43 30.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.2 m -117.44 114.63 23.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.9 0.381 . . . . 0.0 110.679 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -82.78 125.19 31.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.353 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -94.3 101.51 13.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.779 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -104.27 99.23 8.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -92.33 126.59 37.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.456 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.5 m -114.66 141.31 47.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.186 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.61 112.89 21.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 79' ' ' GLU . 5.0 tp -83.59 120.3 25.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.931 176.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.488 ' CG ' ' HB3' ' A' ' 14' ' ' SER . 18.3 m170 -78.06 103.44 7.99 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 109.912 175.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' NH2' ' HG2' ' A' ' 44' ' ' GLU . 35.0 ttt180 -138.29 106.72 5.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.327 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.16 -59.53 2.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.25 175.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.8 -64.33 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.775 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HD2' ' HZ ' ' A' ' 13' ' ' PHE . 3.9 tpm_? 62.14 -95.5 0.05 Allowed 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -170.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -175.88 123.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 61.0 -176.88 0.11 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.596 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' NH2' ' A' ' 38' ' ' ARG . 27.4 mt-10 -103.53 79.21 1.66 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 t -68.1 147.27 52.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.079 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -82.34 124.38 29.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -174.062 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.29 143.57 28.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HB3' HD11 ' A' ' 73' ' ' LEU . 94.1 m-85 -124.47 153.96 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 0.0 111.831 -173.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 98' ' ' TYR . 13.8 tt -134.09 139.16 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.225 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -139.64 161.86 36.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CE2' HD13 ' A' ' 68' ' ' LEU . 81.8 m-85 -134.22 165.45 25.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.444 0.64 . . . . 0.0 112.304 -174.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.453 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 71.7 t80 -154.35 110.72 3.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 108.45 169.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 19.7 pt20 -138.04 119.84 10.68 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 121.083 0.468 . . . . 0.0 111.147 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 16.7 Cg_exo -71.23 -22.14 25.99 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 123.459 2.772 . . . . 0.0 112.728 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.553 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 2.9 p-10 -68.9 124.11 22.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.36 0.6 . . . . 0.0 110.471 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.23 -22.89 9.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.325 -175.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . -95.38 87.19 4.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.373 0.587 . . . . 0.0 110.673 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.87 179.84 43.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.604 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -149.24 134.6 18.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.189 0.494 . . . . 0.0 110.609 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.6 tp -121.38 122.67 40.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.403 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -121.08 157.45 30.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.021 0.439 . . . . 0.0 110.724 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.471 ' HG2' ' N ' ' A' ' 63' ' ' SER . 43.7 ttm -90.32 168.89 11.55 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 171.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.82 ' HB3' ' HG2' ' A' ' 82' ' ' ARG . 2.7 p -54.91 -23.31 18.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.23 -19.75 56.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.068 0.461 . . . . 0.0 111.194 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.45 -6.31 52.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.393 -174.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -61.72 121.14 12.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.976 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.44 117.05 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 51' ' ' TYR . 39.0 mt -86.85 108.42 18.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.83 -173.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.9 mt -105.46 130.06 23.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.485 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.7 92.56 0.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.38 2.053 . . . . 0.0 112.015 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.49 -60.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.345 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.7 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.759 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 48' ' ' PHE . 43.3 tp -111.77 120.28 41.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -172.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -101.07 150.83 37.41 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.405 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -88.03 167.63 6.8 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.772 2.315 . . . . 0.0 112.586 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.3 mt -98.92 136.0 20.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.418 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -81.38 -0.15 10.31 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.753 2.302 . . . . 0.0 113.066 -177.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.01 -161.62 31.21 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.198 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.585 ' HG3' HD23 ' A' ' 36' ' ' LEU . 3.7 mp0 -88.81 -44.34 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.976 0.417 . . . . 0.0 111.289 -177.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -93.31 46.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -82.04 167.65 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.123 0.487 . . . . 0.0 111.132 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.82 ' HG2' ' HB3' ' A' ' 63' ' ' SER . 8.8 ptp85 -144.43 159.0 43.47 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -126.8 127.69 45.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.95 111.71 24.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.617 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.61 113.23 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.955 0.407 . . . . 0.0 110.84 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 23.0 m -97.55 118.67 34.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.837 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -87.81 138.68 31.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.382 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.64 10.22 13.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 111.025 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 34.0 m -117.02 177.44 4.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -67.52 -46.15 73.68 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.075 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -163.86 75.98 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 164.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.553 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 21.3 tp60 -111.02 104.1 12.63 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.353 175.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.506 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 52.1 tt0 -150.21 120.96 7.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.116 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -141.34 103.3 4.39 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.3 t -127.33 120.2 54.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.497 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 52' ' ' PHE . 13.6 m-20 -87.5 110.84 20.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 169.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.05 122.26 52.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.0 0.429 . . . . 0.0 110.394 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 34.2 m-85 -107.73 113.9 27.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.053 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HE2' HD12 ' A' ' 109' ' ' LEU . 87.8 m-85 -108.66 111.99 24.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.529 ' HB3' HD13 ' A' ' 106' ' ' LEU . 29.0 pt20 -125.27 140.88 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.969 0.89 . . . . 0.0 112.082 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.822 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -94.64 158.43 15.53 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.729 174.091 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.2 p -57.52 -27.07 62.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -93.37 -2.99 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.153 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.56 24.16 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.544 174.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.822 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 58.1 tp60 -74.52 104.39 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 100' ' ' GLN . 55.5 tp -116.87 124.43 49.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.881 0.372 . . . . 0.0 111.661 -174.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -110.82 110.07 20.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.521 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.96 117.09 29.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.42 HD12 ' HE2' ' A' ' 99' ' ' PHE . 38.4 mt -111.99 116.12 30.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.041 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.2 m -99.89 115.2 29.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.458 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.552 ' HB3' ' HE1' ' A' ' 113' ' ' PHE . 86.2 m-85 -114.5 118.11 32.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 6.5 m -124.09 112.12 16.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.552 ' HE1' ' HB3' ' A' ' 111' ' ' PHE . 1.6 m-85 -89.41 111.46 22.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.946 -176.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.8 t30 69.4 173.89 0.29 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 123.981 0.8 . . . . 0.0 110.464 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 5.9 p-10 -90.31 -160.74 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.58 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 13.2 m-20 83.07 17.52 0.28 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.754 0.822 . . . . 0.0 111.35 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.8 t -86.94 103.83 15.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.601 ' HB3' ' HB2' ' A' ' 121' ' ' GLU . 56.8 m -68.13 119.35 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.922 -174.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 119' ' ' LYS . 40.5 mtmt -82.28 -54.81 4.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.431 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.75 -26.69 24.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.171 -172.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.601 ' HB2' ' HB3' ' A' ' 118' ' ' SER . 6.9 mm-40 -83.13 37.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.403 0.621 . . . . 0.0 110.055 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.85 -56.85 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.788 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.6 mt -88.54 122.05 31.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.509 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 127' ' ' HIS . 1.1 tm-20 -67.9 127.72 33.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -63.87 110.84 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.677 -171.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 74.54 -51.37 0.68 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.737 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.403 ' HA ' ' OE1' ' A' ' 124' ' ' GLU . 48.2 t-80 71.53 -59.49 0.55 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.564 0.746 . . . . 0.0 111.535 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -164.34 137.62 5.12 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -58.21 -35.73 72.1 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.656 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 . . . . . 0 C--O 1.241 0.651 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 172.106 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.446 0.165 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -85.02 -46.06 11.54 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.918 0.389 . . . . 0.0 110.049 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -86.14 124.96 33.13 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 172.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.2 t70 70.32 96.93 0.07 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.807 0.692 . . . . 0.0 110.047 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -78.53 169.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.81 -174.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -63.14 144.44 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.849 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 7' ' ' ILE . 8.5 tt -150.97 -13.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.206 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -72.9 0.57 10.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -173.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 65.35 7.64 4.4 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 170.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 t -145.29 150.69 37.1 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -123.26 93.83 47.54 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.377 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.1 118.48 5.57 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.53 2.153 . . . . 0.0 110.853 176.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -63.81 139.01 58.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.204 0.526 . . . . 0.0 111.095 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.9 m -92.02 121.41 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.187 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.11 113.67 44.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.575 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -118.74 143.81 46.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.387 0.613 . . . . 0.0 111.272 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.3 p -114.94 141.58 47.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.5 mmt -72.95 154.41 90.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.577 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 147.64 46.15 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.211 2.608 . . . . 0.0 112.976 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -124.57 158.72 60.94 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -57.08 133.91 60.91 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.296 1.997 . . . . 0.0 111.306 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.32 -26.77 67.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.463 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -143.66 146.61 33.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 87' ' ' SER . 86.3 mt -121.38 163.76 18.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.356 -176.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -124.22 176.36 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.653 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.22 115.85 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.07 -16.33 30.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.76 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -71.78 124.96 25.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.421 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -99.82 105.66 17.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.852 0.358 . . . . 0.0 110.221 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.83 106.08 17.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.808 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.03 115.44 23.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 0.0 110.268 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 44.7 mt -103.09 100.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.382 176.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.1 ttt180 -69.0 114.26 7.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.62 127.38 53.6 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.34 113.03 13.27 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.225 0.536 . . . . 0.0 110.53 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -91.21 120.75 32.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.687 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -79.25 99.31 7.0 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.706 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -106.41 135.95 47.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.041 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -92.52 158.1 16.19 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.62 57.6 2.53 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.474 -0.393 . . . . 0.0 112.712 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.46 HH11 ' HD2' ' A' ' 41' ' ' ARG . 10.3 ttt180 -136.92 97.41 3.51 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -109.34 106.18 15.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -166.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -122.07 73.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 168.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' HB3' ' HE3' ' A' ' 46' ' ' LYS . 1.0 OUTLIER 47.88 50.48 15.59 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.266 -177.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.59 89.45 3.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.265 0.555 . . . . 0.0 110.007 174.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.487 ' HE3' ' HB3' ' A' ' 44' ' ' GLU . 87.6 mttt -99.77 128.28 45.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.126 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 69.0 m-85 -107.37 127.84 53.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -174.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -119.57 122.42 41.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.747 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.6 tt -107.77 128.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 0.0 110.637 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -113.42 157.92 21.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.567 ' OH ' HD22 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -134.13 145.09 48.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.103 -174.629 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -142.24 126.77 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.838 174.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -126.67 107.79 22.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' O ' ' A' ' 94' ' ' THR . 27.5 Cg_exo -62.77 -39.6 41.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 111.21 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -83.78 -68.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.391 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.0 8.66 64.64 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-N 115.277 -0.874 . . . . 0.0 114.003 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.92 87.23 5.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.503 0.652 . . . . 0.0 110.732 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.49 150.59 6.31 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.558 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 26.7 m -98.31 113.97 26.1 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.607 ' HG ' HD12 ' A' ' 68' ' ' LEU . 52.0 tp -102.02 121.36 42.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.385 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HG2' HG22 ' A' ' 67' ' ' VAL . 47.4 mtmt -131.6 157.34 43.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.128 0.49 . . . . 0.0 111.792 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.411 ' HG2' ' H ' ' A' ' 63' ' ' SER . 43.2 ttm -95.65 166.74 11.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.169 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.458 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -57.88 -30.25 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.657 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.62 7.75 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.622 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.79 -7.38 82.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.246 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -61.71 117.08 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 122.357 0.263 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.475 HG22 ' HG2' ' A' ' 61' ' ' LYS . 64.2 t -78.28 124.35 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.607 HD12 ' HG ' ' A' ' 60' ' ' LEU . 55.6 mt -91.15 104.57 17.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.197 -172.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -91.31 129.44 43.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.397 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.489 ' O ' ' HB3' ' A' ' 71' ' ' ASN . 32.1 Cg_exo -60.31 177.02 0.64 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.208 2.605 . . . . 0.0 113.015 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 70' ' ' PRO . 20.6 t-20 75.42 -54.57 0.64 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.483 0.713 . . . . 0.0 111.159 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.51 161.33 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.0 pt? -129.25 118.82 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.517 . . . . 0.0 110.329 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HE2' ' HA ' ' A' ' 68' ' ' LEU . 13.2 m-30 -94.73 151.4 39.07 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.719 -174.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 43.9 Cg_endo -70.31 140.19 40.05 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.356 2.037 . . . . 0.0 111.652 174.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.1 mt -84.36 143.28 41.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.426 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.36 -40.49 24.69 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.766 2.311 . . . . 0.0 112.252 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.92 -147.68 9.17 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.713 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -71.06 -57.75 4.23 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.804 0.442 . . . . 0.0 111.403 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.0 p -100.6 117.51 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.106 0.479 . . . . 0.0 111.789 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -143.57 160.31 40.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.114 175.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.462 HH11 ' HD3' ' A' ' 82' ' ' ARG . 6.8 mmm180 -111.69 125.54 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -175.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.402 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 88.6 mt -101.14 113.95 27.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -101.15 105.43 16.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -97.93 110.7 23.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.361 0.6 . . . . 0.0 110.075 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 8.9 m -86.7 101.42 13.27 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.19 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.518 ' HB2' HD13 ' A' ' 24' ' ' LEU . 22.9 t -69.86 127.06 31.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.745 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.84 15.16 16.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.248 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 m -134.44 146.95 50.3 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.665 -175.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -110.44 -5.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.879 0.847 . . . . 0.0 109.044 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -88.26 -165.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.33 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -66.72 113.87 5.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.989 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -120.63 111.74 18.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.427 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 32.2 m -107.45 127.1 53.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.0 t -123.25 117.09 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.045 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -98.19 116.35 30.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.175 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -108.44 122.46 62.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -108.93 124.85 51.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.842 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.84 114.45 28.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -107.63 119.24 38.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 4.9 t70 -103.61 164.1 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.782 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.6 t -73.81 -16.76 61.14 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.402 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 62.3 m-85 -84.2 6.0 24.3 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.032 -0.418 . . . . 0.0 110.96 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.54 0.39 69.82 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.879 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.515 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 6.2 tp-100 -73.42 126.38 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 0.0 110.639 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.1 tp -126.36 115.27 19.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -110.15 111.33 22.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.357 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -99.43 112.36 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.275 0.559 . . . . 0.0 110.293 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.8 mt -101.48 113.08 25.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.451 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -97.92 113.99 25.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.973 0.416 . . . . 0.0 110.519 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -108.95 118.55 37.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -120.01 115.51 23.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -99.16 108.24 20.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.233 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -158.67 150.17 20.86 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -82.61 -1.04 49.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.842 -171.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.95 -10.01 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.834 0.35 . . . . 0.0 110.35 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.8 t -59.1 -34.6 72.2 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.968 -177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 p -136.04 113.55 10.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -127.84 144.15 51.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.632 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.84 30.39 18.23 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.537 0.523 . . . . 0.0 110.692 -175.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.538 ' HG3' ' H ' ' A' ' 122' ' ' GLU . 8.2 tp10 -125.68 179.23 5.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.538 ' H ' ' HG3' ' A' ' 121' ' ' GLU . 44.0 mt-10 69.52 75.46 0.23 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 110.537 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.9 tp -125.37 -35.13 2.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.075 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 128' ' ' HIS . 26.4 mm-40 63.95 99.12 0.04 OUTLIER 'General case' 0 C--O 1.232 0.183 0 O-C-N 123.937 0.773 . . . . 0.0 110.998 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -51.79 126.25 17.39 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.347 -175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 54.4 48.34 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.346 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 72.46 -11.18 0.84 Allowed 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.578 172.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.655 ' HB2' ' HB3' ' A' ' 124' ' ' GLU . 20.5 t60 53.7 75.97 0.24 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.256 0.551 . . . . 0.0 109.648 -170.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -131.26 140.86 49.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.108 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.309 177.173 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -141.47 140.03 33.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.9 49.0 18.72 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.417 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -86.1 -177.94 6.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -86.6 145.57 7.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.152 0.501 . . . . 0.0 111.191 -175.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.52 ' CG ' ' H ' ' A' ' 7' ' ' ILE . 19.6 t70 -97.35 -153.01 0.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.52 ' H ' ' CG ' ' A' ' 6' ' ' ASP . 64.3 mt -79.12 100.94 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.974 0.416 . . . . 0.0 109.981 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -104.02 -42.3 5.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.3 0.571 . . . . 0.0 110.086 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -115.19 100.16 7.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.979 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 m -84.65 2.3 42.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -139.35 96.89 8.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.096 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -91.3 -164.16 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.025 2.484 . . . . 0.0 111.135 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -99.6 136.53 39.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.5 m -128.62 130.91 47.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.066 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.659 HG13 HE22 ' A' ' 107' ' ' GLN . 53.5 mt -112.88 121.07 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.534 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.45 126.64 37.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.384 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.592 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 19.3 p -103.59 125.35 50.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.359 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.467 ' CG ' ' HB3' ' A' ' 33' ' ' ARG . 23.8 mmt -59.6 145.06 83.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.121 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -46.87 116.74 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.711 2.94 . . . . 0.0 113.098 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 HG12 ' A' ' 32' ' ' ILE . 31.7 m -80.62 144.16 56.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.6 140.33 68.05 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.808 2.339 . . . . 0.0 112.278 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 114' ' ' ASN . 0.5 OUTLIER -91.22 -17.09 26.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -119.45 115.91 25.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.832 0.348 . . . . 0.0 110.141 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -122.49 145.35 48.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.5 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HA ' HG22 ' A' ' 90' ' ' THR . 5.6 mptt -116.14 167.87 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.4 116.69 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.66 -0.53 59.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.688 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.02 145.68 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m -116.66 114.51 24.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.547 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 103.06 15.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.944 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.9 100.27 4.77 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 20' ' ' VAL . 39.0 mt -91.52 98.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.073 176.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 18' ' ' MET . 23.9 ttt180 -83.4 114.19 21.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.478 ' SG ' HG22 ' A' ' 17' ' ' THR . 36.6 m -106.98 127.1 53.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.468 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.743 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 28.7 tt0 -124.58 112.4 16.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.175 0.512 . . . . 0.0 110.843 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.6 tt -81.44 120.08 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.213 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -90.78 100.82 13.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.768 ' HE ' ' HG2' ' A' ' 79' ' ' GLU . 13.7 ptt180 -117.18 105.66 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.645 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -76.21 -44.95 35.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 171.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.09 114.38 6.34 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.049 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.458 ' HD3' ' HA ' ' A' ' 41' ' ' ARG . 20.6 mmt180 -74.36 88.8 2.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.722 0.772 . . . . 0.0 112.427 -175.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.56 98.83 7.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.193 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -91.4 -25.62 19.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.395 -169.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -94.81 -9.39 34.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.108 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.405 HG23 ' HB2' ' A' ' 102' ' ' SER . 95.4 m -70.29 110.21 5.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.249 0.547 . . . . 0.0 110.45 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.66 132.62 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.84 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -101.57 134.18 45.1 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -115.55 131.84 56.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.121 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -106.28 128.19 60.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 0.0 110.998 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -123.28 151.58 42.23 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -144.93 125.5 14.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.971 -172.126 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -115.3 117.82 31.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.903 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -119.46 90.73 43.16 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.39 -13.12 8.81 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.766 2.311 . . . . 0.0 112.202 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 8.6 t70 -143.47 134.73 25.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.545 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.89 179.09 33.32 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.041 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.27 113.78 5.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.869 0.366 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.68 134.75 3.5 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.199 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.8 m -86.95 112.08 21.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.903 0.383 . . . . 0.0 110.39 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.595 ' HG ' HD12 ' A' ' 68' ' ' LEU . 57.3 tp -89.93 133.68 34.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.93 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HE2' HG22 ' A' ' 67' ' ' VAL . 99.6 mttt -122.62 153.97 38.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.016 0.436 . . . . 0.0 110.789 177.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.8 ttm -88.71 159.32 17.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 4.5 p -57.57 -20.37 31.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.59 -22.52 50.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.021 0.438 . . . . 0.0 110.938 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.28 -7.47 24.89 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -60.61 118.92 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.313 -0.443 . . . . 0.0 111.011 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.416 HG22 ' HE2' ' A' ' 61' ' ' LYS . 87.6 t -80.22 125.17 38.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 178.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 70.3 mt -98.16 115.98 29.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.716 -174.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 92.8 mt -108.9 130.18 23.04 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.117 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 23.9 Cg_exo -62.85 86.81 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.045 2.497 . . . . 0.0 113.311 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -162.71 -52.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.15 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -115.41 -170.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.097 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.34 147.5 52.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -117.98 152.66 50.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.203 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.94 141.21 21.02 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.725 2.283 . . . . 0.0 112.171 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.73 123.06 66.09 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.926 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.72 16.5 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.86 2.373 . . . . 0.0 112.688 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.21 -175.84 47.18 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.768 ' HG2' ' HE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -101.93 -37.34 8.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.717 0.294 . . . . 0.0 110.72 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.743 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 5.6 t -102.12 106.96 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.425 0.631 . . . . 0.0 109.798 174.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -140.22 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.217 -173.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 38.1 mtt85 -113.49 138.68 49.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.303 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' A' ' 60' ' ' LEU . 86.8 mt -115.71 119.96 37.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 171.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -97.17 99.84 11.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.998 0.428 . . . . 0.0 110.718 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -92.55 104.51 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.488 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -85.17 109.52 18.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.123 0.487 . . . . 0.0 109.745 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -79.38 120.1 23.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.374 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.97 6.87 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.562 0.696 . . . . 0.0 109.135 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -133.37 144.49 49.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 25' ' ' LYS . 22.2 p -95.62 -18.94 20.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.251 0.548 . . . . 0.0 111.029 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.27 -164.49 1.19 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.221 -173.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.482 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . 32.2 mt-30 -63.39 129.8 41.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.258 0.551 . . . . 0.0 110.871 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -119.95 121.26 38.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.83 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 55' ' ' ASP . 30.7 m -102.87 106.36 16.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.916 0.388 . . . . 0.0 111.255 -174.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 36.1 t -119.4 110.3 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.034 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -95.25 111.32 23.19 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.53 138.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.36 0.6 . . . . 0.0 111.462 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.513 ' HB3' HD11 ' A' ' 106' ' ' LEU . 37.9 m-85 -119.7 123.69 44.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.922 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -108.71 112.07 24.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -109.07 138.19 45.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.606 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -107.97 166.22 10.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.697 0.284 . . . . 0.0 110.428 178.342 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.405 ' HB2' HG23 ' A' ' 45' ' ' THR . 50.8 m -70.36 -20.68 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.422 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 87.7 t80 -80.08 -24.59 40.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.24 12.37 8.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.903 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -81.07 139.88 35.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 98' ' ' TYR . 46.1 tp -129.68 119.14 23.02 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.051 0.453 . . . . 0.0 110.364 -178.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.659 HE22 HG13 ' A' ' 15' ' ' ILE . 8.6 tt0 -110.0 109.87 20.6 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.458 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -95.6 125.26 40.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.14 109.5 12.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.025 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.2 m -92.83 119.42 32.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.592 ' HZ ' HG21 ' A' ' 17' ' ' THR . 98.3 m-85 -108.98 119.17 38.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.925 0.393 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -111.99 108.59 17.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -81.96 173.33 12.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.722 -175.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . 26.4 t-20 75.82 -75.98 0.06 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.97 177.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.413 ' HB2' ' OD1' ' A' ' 114' ' ' ASN . 4.5 t-20 -136.15 -165.68 1.75 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.072 -172.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -112.63 102.02 10.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.213 -174.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 p -86.76 77.76 9.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.399 0.619 . . . . 0.0 109.374 177.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -86.6 30.47 0.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.175 -170.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -147.4 135.19 21.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.084 0.469 . . . . 0.0 111.108 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -116.01 -179.3 3.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.461 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 68.64 -76.63 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.938 0.774 . . . . 0.0 112.327 173.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.79 -4.86 59.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.523 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.1 tp -88.33 162.75 16.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 170.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 85.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.331 0.586 . . . . 0.0 110.816 -174.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -132.44 146.26 51.81 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -94.42 33.91 1.36 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.64 0.734 . . . . 0.0 111.167 -168.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -94.79 131.88 40.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 171.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -127.05 43.91 3.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.856 0.36 . . . . 0.0 110.616 -173.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 45.7 m80 64.89 -88.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.191 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.212 175.683 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -104.65 -45.14 4.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.297 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.3 t70 51.81 60.86 3.55 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -168.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.85 -174.18 5.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.227 -1.352 . . . . 0.0 110.989 -166.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -92.25 86.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 63.97 179.4 0.17 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.194 -169.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.483 ' HB ' ' NE2' ' A' ' 9' ' ' GLN . 67.1 mt -139.32 -52.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 O-C-N 122.112 -0.367 . . . . 0.0 110.459 -178.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 59.56 80.22 0.2 Allowed 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.716 0.635 . . . . 0.0 109.638 -174.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.483 ' NE2' ' HB ' ' A' ' 7' ' ' ILE . 17.9 mp0 -76.46 80.89 3.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.25 0.548 . . . . 0.0 110.975 -173.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.9 t -122.41 73.18 1.1 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -115.66 93.59 37.64 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.163 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.72 162.05 42.24 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.765 2.31 . . . . 0.0 111.96 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -69.97 138.16 52.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.233 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 p -95.53 121.41 37.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.156 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.5 mt -101.06 110.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -97.65 110.7 23.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.966 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 p -112.45 125.72 54.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.09 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.7 ptm -64.37 141.59 98.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.45 131.84 45.61 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.946 2.431 . . . . 0.0 112.382 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -86.11 160.44 51.97 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.15 -175.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.07 146.94 67.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.788 2.326 . . . . 0.0 111.792 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 3.0 mptp? -88.49 -28.54 20.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.146 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HD3' ' HA ' ' A' ' 114' ' ' ASN . 27.2 mmtp -127.88 136.3 51.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.305 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 mt -144.98 115.05 7.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.475 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -97.6 171.34 8.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.408 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.71 122.03 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.33 -17.42 19.05 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -80.37 154.51 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 0.0 110.56 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.1 m -129.26 117.65 21.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.075 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.89 116.34 28.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.035 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -89.28 99.87 12.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.284 0.564 . . . . 0.0 110.083 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 51.4 mt -93.98 101.82 12.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.995 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.851 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 97.2 mtt180 -80.3 117.64 21.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.084 0.469 . . . . 0.0 110.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.1 129.44 55.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.176 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -124.52 113.08 17.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.117 0.484 . . . . 0.0 111.274 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tt -93.33 119.05 32.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.474 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -102.58 113.23 26.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.518 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 42' ' ' PHE . 15.7 ptt180 -87.74 120.12 28.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.25 -73.38 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.256 -170.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.6 -138.96 10.24 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.347 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -85.24 73.02 10.66 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.007 0.432 . . . . 0.0 109.92 -176.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 38' ' ' ARG . 94.3 m-85 -94.64 100.63 12.54 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 174.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.97 -77.62 0.39 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.482 -171.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 4.3 mm-40 -96.62 35.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.918 0.389 . . . . 0.0 111.888 -174.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.75 103.42 3.64 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 172.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 101' ' ' ASP . 74.6 mmtt -80.5 118.57 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -174.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -98.31 120.86 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.5 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 95.5 m-85 -117.42 135.82 53.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.313 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.0 141.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.244 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -154.58 161.64 41.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 171.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.528 ' HE1' ' HB2' ' A' ' 68' ' ' LEU . 48.3 p90 -146.16 163.19 36.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 176.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -145.21 129.58 17.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 5.0 pm0 -110.21 101.41 47.81 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.304 0.573 . . . . 0.0 110.298 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' ' 94' ' ' THR . 37.0 Cg_endo -68.78 -37.01 12.61 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.31 2.007 . . . . 0.0 111.957 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.47 120.88 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.332 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.19 176.81 19.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.157 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.11 -167.33 1.74 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.586 0.231 . . . . 0.0 110.542 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.03 173.48 13.52 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.076 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.3 m -140.59 122.21 15.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 83' ' ' LEU . 41.9 tp -100.74 118.96 37.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.042 0.449 . . . . 0.0 110.547 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -107.82 165.31 11.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.935 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.1 ttm -101.17 162.63 12.76 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 6.0 p -61.26 -20.12 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -78.63 -16.6 57.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.106 0.479 . . . . 0.0 110.767 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.12 -5.44 39.04 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -64.75 120.76 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.428 -0.386 . . . . 0.0 111.0 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.1 t -83.65 119.39 32.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 64.5 mt -88.93 140.59 29.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 91.1 mt -119.12 152.96 52.83 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 23.5 Cg_exo -64.94 158.22 52.59 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.859 2.372 . . . . 0.0 112.3 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 53.1 m-80 75.42 -61.17 0.48 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.194 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -75.44 162.5 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 111.415 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 48' ' ' PHE . 70.4 mt -111.43 138.78 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.619 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 71.8 m-85 -124.62 135.77 27.04 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.782 172.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 7.5 Cg_exo -72.1 139.84 33.34 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.781 2.321 . . . . 0.0 112.664 -177.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.15 113.9 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -84.83 6.18 5.86 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.882 2.388 . . . . 0.0 112.364 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -148.84 150.91 23.13 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.84 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.17 -38.32 11.13 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.043 0.449 . . . . 0.0 109.915 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -109.79 86.0 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.63 0.729 . . . . 0.0 109.521 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -118.54 175.82 5.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.392 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.851 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 85.9 mtm180 -124.25 129.93 51.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 60' ' ' LEU . 91.2 mt -101.85 126.39 48.72 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -103.9 97.65 7.61 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.933 0.396 . . . . 0.0 110.955 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -85.2 117.77 24.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.222 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.3 m -90.73 110.96 22.15 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.0 m -71.19 110.25 5.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.66 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.59 13.27 21.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 m -136.63 158.4 44.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.321 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -109.21 -16.59 14.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.446 0.641 . . . . 0.0 109.726 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.76 -177.69 4.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.42 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.33 113.26 3.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.434 0.458 . . . . 0.0 111.852 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -97.72 112.29 24.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.47 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 23.7 m -101.2 105.8 16.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.869 0.366 . . . . 0.0 110.014 178.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.4 t -116.19 119.58 62.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 42.0 t0 -103.11 111.95 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.0 139.68 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -174.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.517 ' HB3' HD11 ' A' ' 106' ' ' LEU . 60.2 m-85 -120.84 122.37 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -111.05 113.07 25.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.55 ' HB3' HD13 ' A' ' 106' ' ' LEU . 11.3 pt20 -120.93 158.15 28.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.941 0.4 . . . . 0.0 111.23 -177.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -116.76 168.2 10.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 178.531 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 p -65.85 -24.14 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.461 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 86.3 t80 -79.88 -23.96 41.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.368 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.36 11.41 7.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.858 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -75.28 143.1 43.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.55 HD13 ' HB3' ' A' ' 100' ' ' GLN . 57.2 tp -141.8 120.19 12.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 111.605 -175.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -110.23 109.62 20.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.203 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -106.55 119.26 38.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.188 0.518 . . . . 0.0 110.962 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.2 mt -116.3 110.55 18.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.179 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 6.6 m -93.25 118.09 30.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -111.11 124.59 52.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.774 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.3 t -109.91 112.22 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -91.18 151.11 21.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.262 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.64 ' HA ' ' HD3' ' A' ' 23' ' ' LYS . 63.5 m-80 62.41 54.07 2.6 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.784 0.677 . . . . 0.0 110.579 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 114' ' ' ASN . 85.7 m-20 72.41 -179.01 0.21 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.752 -176.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -137.55 147.61 45.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.315 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.2 m -125.32 109.31 12.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.82 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.2 m -147.66 80.76 1.5 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.943 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -131.1 15.63 5.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.681 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 120' ' ' GLU . 33.2 mm-40 59.94 45.24 12.53 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.122 -174.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -62.91 -27.12 69.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.843 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 56.59 83.99 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.834 0.709 . . . . 0.0 111.46 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.8 mt -90.38 100.57 13.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.268 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 125' ' ' HIS . 42.3 tt0 -86.04 -20.78 28.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.377 -174.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 124' ' ' GLU . 4.9 m-70 68.17 5.67 4.79 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.1 0.476 . . . . 0.0 111.015 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -140.68 134.02 29.77 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.631 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 61.78 87.57 0.1 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.768 0.668 . . . . 0.0 111.291 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -141.39 150.64 42.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -76.0 130.63 38.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.69 0.281 . . . . 0.0 110.543 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 8.1 p80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.161 178.283 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 3.0 tpt . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -67.29 -67.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.347 . . . . 0.0 111.235 -174.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -140.54 -29.6 0.68 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.54 0.686 . . . . 0.0 110.064 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -78.49 57.59 2.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.697 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 1' ' ' MET . 7.3 p -104.11 -35.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.425 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.75 -19.15 27.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.155 0.503 . . . . 0.0 110.231 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -118.28 139.2 46.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.965 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -101.33 -40.4 7.13 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 43.3 tt0 56.18 23.42 7.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.613 173.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.9 m -109.1 109.35 20.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.004 0.43 . . . . 0.0 110.71 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.64 153.44 40.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.641 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.75 147.06 82.59 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.934 2.423 . . . . 0.0 112.479 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -82.39 143.88 30.9 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -119.33 126.14 50.72 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.502 HG12 ' HA ' ' A' ' 36' ' ' LEU . 57.2 mt -110.47 110.38 31.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.82 137.15 32.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.835 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.512 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 21.9 p -109.9 136.47 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 -175.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.2 mmt -70.34 143.88 91.28 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.291 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -46.23 118.49 2.47 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.49 2.793 . . . . 0.0 113.459 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.9 m -92.4 154.35 42.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.849 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.82 125.52 14.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.077 1.851 . . . . 0.0 111.187 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.545 ' HD2' ' OD2' ' A' ' 116' ' ' ASP . 43.7 mtmt -72.01 -35.1 69.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.747 -176.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -111.97 121.27 44.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.117 177.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.27 162.77 20.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.189 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -119.47 161.18 20.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.937 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.57 112.34 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.999 0.428 . . . . 0.0 110.068 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.92 -2.92 33.69 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.773 -176.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.57 141.65 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.294 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 m -112.53 112.59 24.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.48 119.62 30.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.271 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -89.88 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.282 0.563 . . . . 0.0 110.464 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 37.3 mt -87.04 98.79 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.411 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.4 mtt85 -88.17 119.76 28.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.764 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.503 ' SG ' HG22 ' A' ' 17' ' ' THR . 25.0 m -118.2 140.55 49.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.01 -172.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -121.91 113.33 19.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HA ' HG12 ' A' ' 15' ' ' ILE . 7.8 tt -85.47 120.49 26.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.967 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -91.84 101.63 14.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.526 ' HE ' ' HG3' ' A' ' 79' ' ' GLU . 30.8 ptt180 -122.22 112.08 17.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.122 0.487 . . . . 0.0 110.697 176.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -87.81 147.28 25.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.249 0.547 . . . . 0.0 110.46 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.47 86.86 1.53 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.411 -0.813 . . . . 0.0 113.274 -172.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -96.08 -59.02 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 170.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -122.23 -46.23 2.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.615 170.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' HG2' ' H ' ' A' ' 44' ' ' GLU . 8.9 tt0 59.52 -153.91 0.38 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.905 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.483 ' H ' ' HG2' ' A' ' 43' ' ' GLU . 49.2 mt-10 56.12 27.79 12.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.406 0.622 . . . . 0.0 111.233 -178.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m -91.57 141.41 28.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.483 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.648 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -80.94 119.69 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.664 -177.363 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -98.13 123.33 42.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.706 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.474 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 83.8 m-85 -114.77 150.74 34.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.496 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.406 HD12 ' HE1' ' A' ' 99' ' ' PHE . 13.7 tt -130.24 138.62 53.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.321 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HB2' ' HA ' ' A' ' 70' ' ' PRO . 39.9 ptt180 -163.23 146.49 10.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' HE1' ' HB2' ' A' ' 68' ' ' LEU . 53.5 p90 -121.68 146.29 47.16 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.213 -177.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -106.17 124.2 49.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.466 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -114.53 95.93 41.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' A' ' 94' ' ' THR . 22.5 Cg_exo -65.03 -46.66 5.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.014 2.476 . . . . 0.0 112.579 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -150.88 142.05 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.277 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.47 -160.36 23.96 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.545 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.94 91.95 1.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.15 130.98 3.43 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.185 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.7 m -94.75 112.19 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.738 0.304 . . . . 0.0 110.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -100.97 109.87 21.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.271 0.557 . . . . 0.0 110.429 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.543 ' HG2' HG22 ' A' ' 67' ' ' VAL . 54.1 mtmt -106.13 160.44 15.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.429 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.7 ttp -92.24 169.49 10.56 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.563 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.6 p -53.6 -31.53 47.43 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.174 0.59 . . . . 0.0 112.399 -177.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.99 -6.98 52.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.323 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.39 -9.53 71.77 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -64.29 122.65 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.389 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' ' 61' ' ' LYS . 55.8 t -74.96 122.75 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.619 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 69.6 mt -87.06 141.89 28.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.836 0.35 . . . . 0.0 111.049 -173.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.52 ' HB3' ' OD1' ' A' ' 71' ' ' ASN . 3.1 mm? -127.35 154.36 77.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.18 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 72.6 Cg_endo -80.7 -22.89 6.16 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.399 2.066 . . . . 0.0 112.742 176.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.52 ' OD1' ' HB3' ' A' ' 69' ' ' LEU . 24.2 p-10 -89.6 -24.21 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.786 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -111.9 112.01 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.6 tp -87.0 117.23 25.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.121 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 85.2 m-85 -104.44 146.36 32.45 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.577 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.2 Cg_endo -86.77 155.29 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.977 2.451 . . . . 0.0 112.032 176.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -84.2 140.82 39.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.82 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.96 -31.56 15.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.649 2.233 . . . . 0.0 113.132 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.76 -163.83 30.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.038 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.526 ' HG3' ' HE ' ' A' ' 38' ' ' ARG . 1.9 mp0 -70.26 -46.63 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.7 m -98.78 106.34 18.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.097 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -131.37 163.4 27.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 56.0 mtt85 -124.69 131.65 53.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.488 -175.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.711 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.7 mt -106.37 119.03 38.18 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.987 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.8 100.08 11.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.282 0.563 . . . . 0.0 110.587 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -91.43 107.09 18.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.433 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -88.89 108.57 19.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.091 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 m -76.93 105.2 7.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.995 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.03 1.4 45.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.72 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.3 p -109.51 162.51 14.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.309 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -123.28 11.14 9.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 110.638 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -137.89 -175.22 4.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.206 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 49.5 tt0 -60.57 133.31 55.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.349 0.595 . . . . 0.0 112.009 -174.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -142.96 135.92 28.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.197 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.462 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 62.2 m -110.75 127.55 55.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.229 0.538 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.57 120.28 57.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.691 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -102.11 113.06 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.8 114.54 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.36 118.86 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HE2' HD12 ' A' ' 109' ' ' LEU . 74.8 m-85 -109.23 115.34 29.83 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 170.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.474 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 10.5 pt20 -126.39 148.78 49.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.145 0.498 . . . . 0.0 112.321 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 105' ' ' GLN . 34.1 m-20 -88.03 163.78 16.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.336 173.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.465 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 11.6 p -73.16 -5.44 39.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.646 0.736 . . . . 0.0 109.587 170.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -79.73 -22.49 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.197 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.82 -12.73 35.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.464 ' HB3' ' OD2' ' A' ' 101' ' ' ASP . 7.6 tt0 -76.89 144.42 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 pp -147.95 149.35 32.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.405 0.621 . . . . 0.0 111.729 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -120.45 109.75 15.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.727 172.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -96.72 127.06 42.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.122 0.487 . . . . 0.0 110.372 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.439 HD12 ' HE2' ' A' ' 99' ' ' PHE . 82.5 mt -105.52 113.41 26.96 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.113 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -92.53 114.1 26.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.436 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.512 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.9 m-85 -105.9 118.28 36.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.556 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.1 m -108.93 108.1 18.72 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 98.6 m-85 -83.92 115.08 22.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.67 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -157.43 148.21 21.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.551 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -85.9 118.4 25.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.833 -177.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.545 ' OD2' ' HD2' ' A' ' 22' ' ' LYS . 8.2 m-20 -59.39 116.06 3.68 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 p -170.08 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.474 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.2 m -101.71 99.62 9.89 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.034 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -84.6 142.2 30.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 166.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -47.73 -60.56 2.48 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.437 0.46 . . . . 0.0 111.67 -170.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -150.61 83.69 1.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.599 0.714 . . . . 0.0 110.687 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.56 109.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.586 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.6 mt -77.16 73.36 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.449 -175.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.87 9.72 3.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.3 175.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -100.41 24.36 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -62.59 -38.96 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.896 -1.047 . . . . 0.0 112.069 -169.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -72.99 -10.2 59.55 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 31.9 m170 65.45 94.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -122.02 -53.73 1.94 Allowed 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 166.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.4 t60 . . . . . 0 C--O 1.243 0.732 0 CA-C-N 114.174 -1.376 . . . . 0.0 108.357 168.755 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.496 0.189 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -109.41 88.56 2.77 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.352 0.596 . . . . 0.0 110.166 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -112.22 -26.99 8.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.194 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 5' ' ' VAL . 10.6 t70 64.03 -163.33 0.26 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.06 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 5.2 p -123.07 96.12 3.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.987 0.899 . . . . 0.0 109.077 176.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -88.31 171.9 9.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.939 -171.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.0 pt -93.17 35.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.175 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.473 ' HB2' ' HG3' ' A' ' 12' ' ' PRO . 17.5 pt20 -63.21 110.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.743 -176.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -140.87 170.78 15.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.909 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.6 p 51.24 25.42 2.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.595 0.758 . . . . 0.0 110.922 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.8 t80 51.37 96.42 0.04 OUTLIER Pre-proline 0 N--CA 1.463 0.201 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.65 -172.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HG3' ' HB2' ' A' ' 8' ' ' GLN . 94.1 Cg_endo -79.55 162.56 24.66 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.574 2.183 . . . . 0.0 111.1 174.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.851 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 84.7 m-85 -97.87 138.72 34.79 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.018 0.437 . . . . 0.0 110.468 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -123.95 124.15 41.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.546 ' HB ' ' NE2' ' A' ' 107' ' ' GLN . 12.8 mm -101.63 105.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.22 133.67 35.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.878 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 p -125.03 145.58 49.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -86.27 145.58 40.52 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.24 145.04 68.16 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.936 2.424 . . . . 0.0 112.743 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 32' ' ' ILE . 26.9 m -120.21 155.99 55.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -60.45 144.76 99.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.645 2.23 . . . . 0.0 111.77 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -89.28 -40.44 12.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -175.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -98.73 111.14 23.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.39 123.8 45.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' ' 28' ' ' GLU . 22.3 pttm -86.13 164.69 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.639 177.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG13 ' HA ' ' A' ' 88' ' ' ALA . 43.3 t -70.28 126.71 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.81 0.338 . . . . 0.0 110.122 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.94 2.24 66.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.856 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 28.2 tt0 -90.07 145.21 25.24 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.6 m -111.57 118.13 34.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.899 0.38 . . . . 0.0 111.36 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.18 117.27 33.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.538 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -80.92 110.77 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 HG11 ' A' ' 20' ' ' VAL . 47.5 mt -93.08 99.51 9.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -78.43 127.58 32.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -125.26 126.8 45.71 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.528 -175.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -119.21 113.28 20.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.85 104.78 17.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -89.64 100.7 13.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 -173.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.635 HH22 HG21 ' A' ' 45' ' ' THR . 12.4 ptm180 -121.21 173.94 7.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.95 43.73 1.13 Allowed 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.526 0.679 . . . . 0.0 110.974 -175.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' O ' ' HD1' ' A' ' 42' ' ' PHE . . . 75.33 -58.79 2.83 Favored Glycine 0 CA--C 1.521 0.444 0 CA-C-N 115.707 -0.679 . . . . 0.0 114.023 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -63.08 120.18 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -171.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.75 ' HB2' ' HB ' ' A' ' 45' ' ' THR . 28.8 p90 -150.93 112.39 4.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.492 169.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -100.01 -82.56 0.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.179 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -86.64 5.32 36.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.484 0.659 . . . . 0.0 109.447 174.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.75 ' HB ' ' HB2' ' A' ' 42' ' ' PHE . 27.4 m -72.28 117.42 13.9 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.438 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -118.47 142.98 47.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.02 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.672 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 43.7 m-85 -97.38 124.49 41.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.888 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' HB3' HD11 ' A' ' 73' ' ' LEU . 86.6 m-85 -124.8 148.2 48.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.704 0.288 . . . . 0.0 110.448 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.91 144.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -153.16 166.07 33.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.591 ' HE2' ' HB3' ' A' ' 68' ' ' LEU . 17.5 m-85 -132.0 164.74 25.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.776 -173.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.615 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 75.5 t80 -135.96 140.62 44.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -116.84 94.63 44.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.1 Cg_endo -76.37 -47.0 0.16 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.967 1.778 . . . . 0.0 111.685 175.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -147.08 137.68 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.22 -179.26 25.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.255 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.67 134.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.922 0.391 . . . . 0.0 110.572 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.56 133.81 3.58 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.859 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.3 m -87.66 110.68 20.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 83' ' ' LEU . 36.7 tp -100.69 119.58 38.8 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -109.71 149.45 29.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.6 ttm -82.65 166.74 18.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 3.8 p -52.22 -31.52 32.44 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.49 -2.13 37.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.658 0.266 . . . . 0.0 111.597 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.38 -5.7 77.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.205 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -59.93 117.73 5.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.524 0.33 . . . . 0.0 111.239 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -75.7 124.31 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.333 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.591 ' HB3' ' HE2' ' A' ' 51' ' ' TYR . 7.0 mt -103.06 127.54 50.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.967 -175.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.62 155.35 37.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.461 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.36 158.05 52.2 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.53 2.153 . . . . 0.0 112.89 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.7 t30 71.85 -37.17 0.38 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.276 1.03 . . . . 0.0 112.436 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.74 135.18 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 48' ' ' PHE . 35.3 tp -90.39 115.49 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.382 . . . . 0.0 110.955 -175.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 96.5 m-85 -103.89 146.15 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.95 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 11.3 Cg_endo -88.99 137.0 3.1 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.006 2.471 . . . . 0.0 111.692 173.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 92.7 mt -92.92 131.21 33.98 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.364 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.03 5.83 4.23 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.916 2.411 . . . . 0.0 112.993 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 173.09 -164.59 36.58 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.358 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -110.5 -11.82 14.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.355 0.597 . . . . 0.0 110.197 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 m -111.35 98.29 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.82 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -145.07 158.38 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.094 0.473 . . . . 0.0 111.242 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.466 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.572 ' HB3' HD11 ' A' ' 60' ' ' LEU . 85.2 mt -108.12 133.8 51.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.466 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 68.0 m-85 -103.11 101.56 11.53 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.175 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -87.56 116.31 25.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.2 m -103.88 107.83 18.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.103 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 129.67 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -121.75 -0.96 9.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.875 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.583 ' OG ' ' HG2' ' A' ' 93' ' ' GLN . 24.3 p -122.19 152.22 40.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 176.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 m -91.26 -26.28 19.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.074 0.464 . . . . 0.0 110.966 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -94.41 -159.07 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.12 117.23 3.55 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 111.388 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.915 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 61.0 mt-30 -101.77 111.99 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.326 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.496 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 5.8 m -115.6 105.62 12.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.923 0.392 . . . . 0.0 110.616 -178.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.77 114.14 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.576 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 5.1 t0 -92.74 111.41 23.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.3 t -108.86 131.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.702 0.286 . . . . 0.0 111.246 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.478 ' HB3' HD11 ' A' ' 106' ' ' LEU . 64.4 m-85 -115.91 122.01 44.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.9 113.6 26.65 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.564 ' HB3' HD13 ' A' ' 106' ' ' LEU . 20.7 pt20 -122.19 137.81 54.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.61 0.719 . . . . 0.0 111.614 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -112.51 155.25 24.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.761 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.616 ' OG ' ' HA ' ' A' ' 45' ' ' THR . 11.2 p -74.28 0.47 14.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.944 0.402 . . . . 0.0 111.709 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -78.71 -14.05 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.179 0.514 . . . . 0.0 109.673 171.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.08 1.62 45.09 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.699 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.851 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 11.2 tp60 -80.24 125.85 30.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 100' ' ' GLN . 59.7 tp -128.33 116.23 19.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.024 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.546 ' NE2' ' HB ' ' A' ' 15' ' ' ILE . 7.6 tt0 -114.33 118.17 33.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -97.26 146.27 25.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.78 114.59 12.79 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 m -94.52 112.66 24.43 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.019 0.438 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.68 119.36 37.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -105.24 108.2 19.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.544 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.915 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 93.2 m-85 -101.69 144.02 30.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -177.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 63.23 84.78 0.14 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 124.151 0.907 . . . . 0.0 110.089 -176.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 72.24 132.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.192 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.25 89.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.8 p 58.85 165.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.521 1.128 . . . . 0.0 111.878 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -79.91 58.95 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.557 0.694 . . . . 0.0 110.488 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 119' ' ' LYS . 6.4 ttpm? -84.24 83.99 7.78 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.441 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -116.29 -160.55 0.76 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.369 -0.832 . . . . 0.0 108.925 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -59.53 111.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 126' ' ' HIS . 1.5 tm-20 -95.45 119.09 33.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.838 -161.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 pp -151.95 20.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.058 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -143.74 -31.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -87.58 -36.11 17.72 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.417 ' H ' ' CD ' ' A' ' 122' ' ' GLU . 44.2 m80 63.53 -76.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.995 -1.002 . . . . 0.0 113.169 173.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 63.72 -90.59 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.82 0.448 . . . . 0.0 110.089 -172.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -155.01 51.19 0.6 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -58.23 99.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.142 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 74.4 m80 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.469 179.273 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 p30 42.31 34.54 0.52 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.206 1.003 . . . . 0.0 112.07 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -117.16 159.08 23.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.677 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.1 t70 62.96 -92.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.732 0.645 . . . . 0.0 109.619 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 p 49.96 18.01 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.577 1.151 . . . . 0.0 113.49 171.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 66.18 163.13 0.17 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.201 0.524 . . . . 0.0 111.362 -177.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.4 mt 62.24 83.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -86.49 49.37 1.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.181 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -57.99 -40.88 81.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.703 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 33.1 p 50.45 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 173.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' A' ' 10' ' ' SER . 27.5 m-85 78.43 156.88 0.14 Allowed Pre-proline 0 N--CA 1.47 0.575 0 C-N-CA 124.208 1.003 . . . . 0.0 110.566 -172.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.28 163.29 20.7 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.476 2.117 . . . . 0.0 111.641 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 19.0 m-85 -63.98 138.61 58.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.141 0.496 . . . . 0.0 111.212 -175.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -127.57 125.63 40.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.812 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 36' ' ' LEU . 51.1 mt -101.52 115.24 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.942 0.401 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -93.81 116.34 28.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.465 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 32.2 p -93.23 135.82 34.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.437 ' HG3' ' HB2' ' A' ' 33' ' ' ARG . 95.9 mmm -64.53 134.31 95.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.75 124.13 11.82 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.474 2.782 . . . . 0.0 112.573 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.464 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 15.8 m -79.15 157.74 75.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.931 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.629 ' HG2' ' HA ' ' A' ' 116' ' ' ASP . 97.7 Cg_endo -85.4 171.22 8.89 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.58 2.853 . . . . 0.0 114.173 -171.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -107.55 10.66 29.18 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.093 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -140.33 136.84 33.62 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.09 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.027 HD12 ' H ' ' A' ' 116' ' ' ASP . 0.6 OUTLIER -142.75 146.4 34.26 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.719 0.295 . . . . 0.0 110.385 179.764 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 50.8 mttm -109.04 136.14 49.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.74 111.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 0.0 110.352 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.11 -2.42 29.91 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.735 -175.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . 8.2 tp10 -95.56 158.29 15.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.941 0.4 . . . . 0.0 110.233 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 30.0 m -107.72 140.61 40.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.49 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.28 122.23 47.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.644 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 84' ' ' TYR . 20.2 pt-20 -88.82 100.36 13.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mt -84.35 102.89 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.299 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HB2' ' HG3' ' A' ' 18' ' ' MET . 96.0 mtt180 -87.39 119.83 28.07 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.155 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 17' ' ' THR . 31.9 m -120.29 127.37 52.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -112.02 112.81 24.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.196 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 15' ' ' ILE . 10.6 tt -89.12 120.85 30.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.9 114.56 21.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -124.54 172.34 9.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.096 0.474 . . . . 0.0 111.453 -176.366 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 4.6 t70 -98.52 151.23 20.86 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.226 178.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.9 -5.5 38.39 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.298 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 41' ' ' ARG . 44.6 ttt-85 -75.71 -34.24 60.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.912 0.386 . . . . 0.0 110.236 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -85.18 26.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 63.76 -96.16 0.05 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.171 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -161.03 100.65 1.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.071 -172.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -92.3 171.6 8.96 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.85 129.06 46.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.827 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 33.0 m-85 -103.93 148.3 26.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.718 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 95.1 m-85 -125.32 139.62 53.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.631 0.253 . . . . 0.0 110.667 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -124.72 131.09 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.38 0.61 . . . . 0.0 111.388 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -152.2 142.5 22.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 174.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -133.31 166.45 22.46 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.48 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -136.78 122.82 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -113.1 105.0 55.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.165 0.507 . . . . 0.0 110.368 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.45 -20.66 18.03 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 123.014 2.476 . . . . 0.0 111.785 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -97.67 153.66 18.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.959 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.17 96.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.522 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.577 ' HB1' ' OH ' ' A' ' 85' ' ' TYR . . . -117.09 -158.72 0.71 Allowed 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.623 0.249 . . . . 0.0 111.423 -174.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.85 -161.07 27.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.073 -174.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -105.75 128.3 53.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.369 . . . . 0.0 110.841 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' ' 83' ' ' LEU . 60.8 tp -102.23 123.19 45.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -109.69 161.89 14.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.17 0.509 . . . . 0.0 110.043 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.3 ttp -107.56 157.76 17.78 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -56.36 -20.1 17.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -70.18 -21.79 63.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.382 0.611 . . . . 0.0 110.46 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.18 -7.04 34.83 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.62 132.37 46.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.397 -0.401 . . . . 0.0 111.126 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.9 t -88.92 126.0 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.6 mt -94.5 112.3 24.06 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.052 0.453 . . . . 0.0 110.841 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 69' ' ' LEU . 3.5 mm? -96.63 144.36 27.71 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.761 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.54 -2.07 8.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.967 2.445 . . . . 0.0 112.461 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -85.31 -33.93 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.601 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.3 163.51 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.955 0.407 . . . . 0.0 111.637 -171.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 48' ' ' PHE . 60.5 tp -107.2 119.15 38.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.297 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.61 148.1 35.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -85.75 132.07 4.03 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.503 2.135 . . . . 0.0 112.472 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.827 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 77.3 mt -83.49 115.8 61.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.203 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.22 5.59 5.88 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.038 2.492 . . . . 0.0 113.403 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -156.89 152.23 23.59 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.839 -177.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HG2' ' NE ' ' A' ' 38' ' ' ARG . 2.3 mp0 -79.35 -42.91 24.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.272 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.3 p -102.8 101.51 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.402 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -126.7 150.46 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.51 . . . . 0.0 111.402 -172.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -114.85 135.35 54.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.951 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.569 ' HB3' HD11 ' A' ' 60' ' ' LEU . 83.8 mt -109.51 136.09 49.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.768 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 40.1 m-85 -106.21 100.94 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.372 0.606 . . . . 0.0 111.056 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.577 ' OH ' ' HB1' ' A' ' 57' ' ' ALA . 42.8 t80 -98.83 107.7 20.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 18.7 m -88.2 107.28 18.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -92.55 139.63 30.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.56 20.11 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.197 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 93' ' ' GLN . 9.4 t -130.95 152.17 50.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.104 -178.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -111.28 2.81 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.544 0.687 . . . . 0.0 109.883 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.37 174.56 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.596 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.4 103.56 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.4 0.619 . . . . 0.0 109.606 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.427 ' OE1' ' HB3' ' A' ' 89' ' ' SER . 21.7 mt-30 -94.23 119.2 32.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.412 -173.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.7 m -88.54 105.93 17.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 0.0 110.347 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 t -108.64 101.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -97.16 110.92 23.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -106.31 134.5 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.091 0.472 . . . . 0.0 111.077 -173.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.529 ' HB3' HD11 ' A' ' 106' ' ' LEU . 57.1 m-85 -111.86 116.45 30.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.404 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.97 112.81 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.606 ' HB3' HD13 ' A' ' 106' ' ' LEU . 4.5 pt20 -124.65 164.38 20.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.682 -178.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.07 175.41 9.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.615 -177.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.9 m -72.99 -21.33 60.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.083 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.89 -14.71 58.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.55 9.79 20.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.107 -1.044 . . . . 0.0 114.138 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -83.58 155.42 23.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.645 0.723 . . . . 0.0 110.175 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 100' ' ' GLN . 35.5 tp -147.08 116.07 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.42 114.53 27.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.414 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -92.73 128.47 38.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.6 mt -120.39 109.11 14.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 m -99.29 113.65 26.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.88 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.465 ' HZ ' HG21 ' A' ' 17' ' ' THR . 92.8 m-85 -109.88 122.73 48.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.221 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 p -95.38 107.43 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -90.8 165.36 13.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.838 -177.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -166.4 -49.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.97 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.6 ' HA ' ' HB2' ' A' ' 24' ' ' LEU . 43.6 m-80 -148.79 72.78 1.2 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 1.027 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.2 m-20 -131.16 81.32 1.98 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.514 -172.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.662 ' HB2' HD23 ' A' ' 24' ' ' LEU . 45.4 t -113.54 122.87 48.56 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.582 ' O ' ' HG2' ' A' ' 119' ' ' LYS . 28.5 p -70.28 102.21 2.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.514 -176.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 118' ' ' SER . 22.8 pttm 51.16 -171.8 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.364 1.04 . . . . 0.0 112.645 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.53 173.83 14.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.305 173.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -134.72 126.49 29.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.69 -33.53 74.16 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.771 0.319 . . . . 0.0 111.421 -174.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 123' ' ' LEU . 2.1 tm? -99.33 90.9 4.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.9 -71.3 0.56 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 50.29 -92.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 O-C-N 124.251 0.969 . . . . 0.0 110.715 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -164.36 101.78 0.84 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.257 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -141.94 128.17 19.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.049 0.452 . . . . 0.0 109.964 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -81.28 125.0 29.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.158 -174.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -121.32 129.33 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.513 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.9 t60 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.892 179.845 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.825 0.345 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -167.44 102.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.774 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -149.31 104.4 3.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.65 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -85.83 126.43 34.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.596 0.713 . . . . 0.0 111.194 -176.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 6' ' ' ASP . 42.2 t -111.47 -26.29 3.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.354 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 5' ' ' VAL . 6.2 m-20 71.37 112.0 0.06 Allowed 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.357 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 pt -85.24 68.49 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.154 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 53.4 mt-30 -62.62 -70.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.876 176.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 8' ' ' GLN . 35.6 tt0 173.8 -35.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.11 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -76.02 53.7 0.8 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.094 -177.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.577 ' HB3' ' HD3' ' A' ' 12' ' ' PRO . 15.8 t80 -80.63 -45.94 1.28 Allowed Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 175.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 11' ' ' TYR . 10.7 Cg_endo -91.64 111.65 0.32 Allowed 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 122.193 1.929 . . . . 0.0 110.516 166.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -68.51 139.2 55.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.193 0.52 . . . . 0.0 112.021 -171.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.0 m -105.23 119.84 40.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.418 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.97 122.78 61.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.282 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.83 142.47 37.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.104 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 p -122.39 131.13 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.109 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.4 mtp -69.2 133.89 89.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -43.65 125.93 5.25 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.688 2.925 . . . . 0.0 113.092 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.1 m -86.37 164.51 37.78 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.908 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.45 148.01 82.85 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.743 2.295 . . . . 0.0 112.01 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -81.72 -45.05 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.644 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -124.9 136.98 54.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.758 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 87' ' ' SER . 65.6 mt -119.18 115.45 24.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.738 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -77.58 153.25 33.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.501 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.02 114.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.767 0.318 . . . . 0.0 110.281 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.63 3.54 22.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.616 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -91.12 149.09 21.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.563 -0.374 . . . . 0.0 110.533 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 m -120.13 107.51 13.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 0.0 110.082 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.06 126.16 34.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.508 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 39.5 mt-10 -87.92 100.32 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.28 175.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.909 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 57.2 mt -80.51 99.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 175.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 32.5 mtm-85 -88.28 115.5 25.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.252 0.548 . . . . 0.0 110.498 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.2 t -125.39 134.75 52.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.433 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -138.27 121.04 16.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.136 0.494 . . . . 0.0 111.059 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 10.2 tt -75.68 112.71 12.33 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 168.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -82.78 100.33 10.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.398 0.618 . . . . 0.0 111.212 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' NH1' ' HB3' ' A' ' 42' ' ' PHE . 18.4 ttm-85 -126.97 149.04 50.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.84 176.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -76.49 -52.73 9.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.2 0.524 . . . . 0.0 109.832 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.25 -156.03 23.68 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.305 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 61.09 79.51 0.25 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.276 0.56 . . . . 0.0 111.303 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.544 ' HB3' ' NH1' ' A' ' 38' ' ' ARG . 36.6 p90 -147.82 122.43 9.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.904 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -131.47 -27.55 1.95 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.849 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -110.78 -30.64 7.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.449 -172.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.32 107.39 3.27 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.854 -176.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -107.26 138.39 43.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.352 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.886 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 28.2 m-85 -99.19 150.59 21.9 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.613 ' HB2' ' HB2' ' A' ' 100' ' ' GLN . 91.9 m-85 -132.77 154.45 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.8 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.9 tt -141.72 141.56 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -152.95 166.53 32.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' HE1' HD13 ' A' ' 68' ' ' LEU . 87.7 m-85 -136.5 166.3 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.894 0.378 . . . . 0.0 111.922 -177.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -157.83 114.63 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.781 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -109.53 112.22 58.96 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.05 175.767 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 3.5 Cg_exo -80.87 -7.19 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 123.179 2.586 . . . . 0.0 112.37 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -128.57 -175.71 3.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.891 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.31 127.14 7.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.294 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.07 -173.36 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.594 0.235 . . . . 0.0 110.908 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.04 -137.92 9.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.157 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.3 m -110.31 134.22 52.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 110.668 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' A' ' 85' ' ' TYR . 44.2 tp -125.58 125.78 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -177.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 50.2 mtmt -135.2 159.77 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.4 ttp -83.73 159.2 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -52.45 -26.0 11.58 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.26 -23.42 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.42 -3.62 15.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.4 m -73.65 118.12 16.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.101 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.558 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 40.7 t -69.79 128.99 33.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.611 HD13 ' HE1' ' A' ' 51' ' ' TYR . 57.5 mt -101.92 99.51 9.71 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 81.7 mt -102.9 154.65 37.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.993 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 16.4 Cg_exo -69.59 -9.98 27.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.143 2.562 . . . . 0.0 112.276 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -76.04 -38.62 56.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -113.39 156.13 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -173.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -106.78 112.42 25.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 42.5 m-85 -96.29 136.11 22.17 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -173.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 6.2 Cg_exo -79.63 136.92 12.53 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.667 2.245 . . . . 0.0 111.527 174.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.886 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.9 mt -89.14 114.91 62.14 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.084 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.15 -3.66 14.16 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.4 160.06 32.28 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.744 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -90.61 -13.26 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.094 0.474 . . . . 0.0 110.778 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 111.7 21.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.154 176.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -154.71 166.63 32.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 -175.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 97.2 mtt180 -118.77 147.46 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.459 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.909 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 39.1 mt -115.47 134.26 55.25 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.772 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 57.0 m-85 -110.97 110.1 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.501 ' HB2' HD13 ' A' ' 60' ' ' LEU . 74.0 t80 -107.93 122.95 47.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 178.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -97.6 117.0 30.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.879 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.425 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 2.5 p -74.85 115.93 15.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.187 0.518 . . . . 0.0 111.504 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.09 21.11 4.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -119.68 162.83 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.665 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 p -123.12 -0.08 8.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 111.908 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -113.44 -167.42 1.2 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -72.26 111.59 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.712 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 21.8 mt-30 -83.07 111.04 18.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.347 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -105.64 109.03 20.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.142 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.63 117.94 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 34.3 t0 -96.36 118.28 32.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.517 HG22 ' HE2' ' A' ' 51' ' ' TYR . 40.5 t -99.1 126.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.755 -176.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -107.06 118.5 36.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.687 0.279 . . . . 0.0 111.149 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -109.85 133.37 53.23 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.724 ' HG2' HD22 ' A' ' 106' ' ' LEU . 76.7 mt-30 -132.7 150.04 52.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.73 0.3 . . . . 0.0 110.951 -177.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 159.21 17.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.789 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.1 p -71.24 -9.65 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.748 0.785 . . . . 0.0 109.535 173.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.79 -17.06 56.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.36 18.38 26.38 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.035 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.59 138.53 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -122.0 116.0 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.213 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -126.57 109.59 12.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 24.4 pt20 -114.24 133.23 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.302 0.573 . . . . 0.0 111.42 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.46 113.19 18.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.923 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 13.7 m -94.16 113.88 25.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.837 0.351 . . . . 0.0 110.535 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.04 136.54 41.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.671 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.0 p -120.33 108.53 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.712 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 98.3 m-85 -93.64 154.78 17.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 65.3 t30 68.78 22.45 7.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.518 0.675 . . . . 0.0 111.175 173.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -93.37 115.05 27.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -100.34 7.08 44.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.63 -174.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.6 p 45.43 72.61 0.2 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.361 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 119' ' ' LYS . 15.7 m -73.5 178.82 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.521 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD2' ' HB2' ' A' ' 121' ' ' GLU . 21.7 pttp 55.06 163.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.815 1.246 . . . . 0.0 113.584 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -85.77 -21.18 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.646 0.736 . . . . 0.0 109.106 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' A' ' 119' ' ' LYS . 40.6 mt-10 -70.35 111.03 5.63 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.412 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.47 ' OE2' ' HA ' ' A' ' 125' ' ' HIS . 21.7 pt-20 -134.36 147.92 50.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.488 177.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.31 102.38 2.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 66.41 120.48 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.248 -172.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.47 ' HA ' ' OE2' ' A' ' 122' ' ' GLU . 29.6 t-80 -53.93 118.35 3.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.714 178.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -62.37 147.5 48.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.573 0.702 . . . . 0.0 112.314 -172.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -87.32 177.66 7.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.12 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -81.9 -171.29 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.299 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 46.8 t60 63.43 53.86 2.07 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.3 m80 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.799 177.835 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -146.68 100.01 3.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.42 0.629 . . . . 0.0 109.641 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -139.79 -21.17 0.89 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.568 -178.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -95.88 -150.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.442 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.19 32.57 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.691 0.758 . . . . 0.0 110.653 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -75.66 53.09 0.69 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.597 0.713 . . . . 0.0 111.222 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 pt -86.22 2.43 4.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.179 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.47 125.54 24.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.443 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 66.6 11.1 7.91 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.771 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.5 t -99.49 136.09 39.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -101.08 104.7 34.26 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -77.15 126.08 8.33 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.53 2.153 . . . . 0.0 111.495 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -77.22 138.01 39.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.077 0.465 . . . . 0.0 110.057 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t -106.6 128.49 54.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.58 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' A' ' 35' ' ' GLN . 57.8 mt -132.24 105.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 109.866 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -104.68 153.75 20.85 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.479 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.514 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 41.1 p -119.37 143.15 47.59 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.409 -177.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.6 mtt -72.79 147.93 89.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.55 127.84 23.96 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.162 2.575 . . . . 0.0 112.662 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 m -105.11 155.68 37.33 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.562 -174.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 127.39 10.09 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.753 2.302 . . . . 0.0 110.997 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.81 -27.67 40.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.047 0.451 . . . . 0.0 110.454 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -110.0 121.58 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.271 0.558 . . . . 0.0 110.51 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 HE21 ' A' ' 93' ' ' GLN . 85.0 mt -122.6 170.74 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.502 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HD3' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.77 152.86 41.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.661 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 89' ' ' SER . 20.3 t -58.01 121.26 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 173.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.3 -15.75 58.67 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.148 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 13.6 mm-40 -79.23 125.52 29.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.433 . . . . 0.0 109.954 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.8 m -100.62 117.13 34.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.187 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.33 113.75 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -78.96 108.82 12.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.845 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -102.81 99.91 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -83.39 133.06 34.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.486 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.9 m -116.87 146.9 42.62 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.771 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 7.1 tp60 -116.9 112.78 21.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 7.5 tt -99.8 122.01 42.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -129.92 117.13 19.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.199 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 9.5 ptm180 -146.82 114.37 6.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.082 172.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -82.46 -166.3 1.25 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.48 33.53 7.5 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.131 -177.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 70.05 116.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.441 0.696 . . . . 0.0 111.774 176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -82.15 97.16 8.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.877 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -108.02 -132.18 0.32 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.056 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.95 23.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.982 0.42 . . . . 0.0 110.744 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m -68.97 105.74 2.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.713 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 102' ' ' SER . 67.7 mttm -99.21 140.21 33.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.116 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.837 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 55.8 m-85 -102.01 146.42 27.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.094 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 78.0 m-85 -127.73 150.1 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 0.0 110.758 -178.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.87 140.35 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.702 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 26.2 ttp180 -162.1 135.5 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -138.41 166.79 23.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.541 -173.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -132.75 125.17 29.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.778 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -112.87 94.48 29.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.36 -46.87 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.447 2.098 . . . . 0.0 112.673 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -116.37 -28.99 6.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.064 -176.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 92' ' ' GLN . . . -72.4 94.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.567 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -83.42 98.57 9.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.196 0.522 . . . . 0.0 110.764 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.6 161.17 32.97 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.097 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.47 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 29.7 m -98.13 114.29 26.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 83' ' ' LEU . 38.0 tp -94.24 116.96 29.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.533 . . . . 0.0 110.665 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 84' ' ' TYR . 50.6 mttm -106.26 151.07 25.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.228 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.7 ttm -82.29 164.28 21.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.403 ' HA ' ' HE2' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -54.93 -23.6 19.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.118 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -86.83 -15.73 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.698 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.75 -6.09 24.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.06 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.1 m -67.61 125.62 26.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.765 0.283 . . . . 0.0 111.521 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.44 121.26 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.8 mt -91.47 118.81 30.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.339 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 4.1 mm? -76.15 124.56 88.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 171.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 88.5 Cg_exo -47.33 -49.23 13.4 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.498 2.798 . . . . 0.0 114.022 -172.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -87.38 4.41 43.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -103.48 144.92 30.76 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.968 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 48' ' ' PHE . 33.2 tp -93.71 111.31 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.696 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -105.07 151.88 39.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -86.05 147.3 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.645 2.23 . . . . 0.0 112.184 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.837 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.3 mt -94.84 129.75 35.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.85 -23.72 30.05 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.932 2.421 . . . . 0.0 113.106 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.28 -177.43 39.93 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.042 -1.075 . . . . 0.0 112.856 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -82.79 -34.43 27.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -94.42 40.99 1.09 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.219 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -75.18 163.56 27.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.343 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.87 145.74 52.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.649 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' A' ' 60' ' ' LEU . 96.0 mt -116.45 139.48 50.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 61' ' ' LYS . 91.0 m-85 -117.2 109.35 16.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 0.0 110.983 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -95.32 106.35 18.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.619 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.47 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.9 m -86.95 106.75 18.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.543 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -66.88 130.38 42.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.97 23.78 3.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.713 0.292 . . . . 0.0 111.648 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.565 ' O ' HG22 ' A' ' 26' ' ' VAL . 15.8 t -126.3 -178.76 4.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -61.12 -43.4 98.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 149.28 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.446 -1.706 . . . . 0.0 110.38 150.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.557 ' O ' ' HA2' ' A' ' 56' ' ' GLY . 5.9 tm0? -105.39 118.1 35.7 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.072 168.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 17.3 mp0 -119.72 108.17 14.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.817 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 m -143.6 105.55 4.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.819 171.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.95 135.03 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.086 -174.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -101.37 112.2 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.84 116.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.467 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 91.7 m-85 -93.12 126.82 38.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.319 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.456 ' CE2' HD12 ' A' ' 109' ' ' LEU . 81.5 m-85 -109.02 114.46 28.22 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.569 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 11.3 tt0 -108.33 120.43 42.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.788 -169.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -91.03 152.47 20.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.912 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 17.4 t -67.99 -15.28 63.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.676 -175.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -79.47 -9.18 59.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.3 10.8 33.09 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 177.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -103.17 126.48 50.36 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.486 ' HB3' ' HG3' ' A' ' 100' ' ' GLN . 3.1 pp -123.21 135.01 54.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.131 0.491 . . . . 0.0 110.346 177.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -110.71 118.26 35.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.47 -177.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -90.33 107.64 19.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.282 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.456 HD12 ' CE2' ' A' ' 99' ' ' PHE . 67.7 mt -100.91 115.12 29.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.833 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -92.73 120.8 33.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.47 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.514 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.1 m-85 -105.51 118.0 35.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 m -128.26 109.7 11.72 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.613 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 2.3 m-85 -93.75 117.72 30.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.301 -177.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -82.96 83.13 7.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.52 0.676 . . . . 0.0 109.804 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -73.05 -5.35 38.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.497 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.91 -20.57 60.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.254 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.0 m 59.35 42.74 17.63 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.997 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.59 113.13 8.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.879 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.13 -18.74 52.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.665 0.269 . . . . 0.0 110.895 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -74.9 153.01 38.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.14 96.26 8.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.854 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -147.51 -67.16 0.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.91 83.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.537 0.684 . . . . 0.0 111.378 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 174.33 -21.94 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.089 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -53.02 134.17 38.19 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.615 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -63.47 112.09 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.54 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -76.98 169.91 17.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.672 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -65.46 -173.78 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -65.82 -24.65 66.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.93 170.106 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.137 0.494 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -131.79 138.84 48.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.09 149.77 40.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.621 0.248 . . . . 0.0 110.355 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -60.22 112.26 1.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.097 0.475 . . . . 0.0 112.11 -170.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 m -83.51 158.46 3.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.004 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -131.07 82.22 2.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.928 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.8 mm 64.7 113.1 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 111.918 175.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' A' ' 37' ' ' HIS . 29.8 pt20 -84.52 -4.93 59.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.197 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' HB3' ' HE2' ' A' ' 11' ' ' TYR . 98.7 mt-30 59.11 72.18 0.54 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.036 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 67.6 m -82.38 110.46 17.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.499 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.636 ' HB2' ' HD3' ' A' ' 12' ' ' PRO . 95.0 m-85 -120.95 -61.99 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.148 173.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.636 ' HD3' ' HB2' ' A' ' 11' ' ' TYR . 78.3 Cg_endo -80.94 159.34 21.04 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.393 1.395 . . . . 0.0 111.924 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.96 135.57 38.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -177.396 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 38' ' ' ARG . 13.3 t -168.1 110.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 167.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.474 HD11 ' HE1' ' A' ' 13' ' ' PHE . 41.1 mt -129.64 133.04 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.565 0.222 . . . . 0.0 111.341 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.35 135.45 43.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.456 HG21 HD13 ' A' ' 109' ' ' LEU . 36.9 p -119.36 126.97 52.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.554 -173.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.472 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.5 mpt? -72.23 130.2 86.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -58.4 146.31 90.55 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.05 2.5 . . . . 0.0 112.805 -177.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.455 HG11 HG12 ' A' ' 32' ' ' ILE . 28.7 m -96.4 167.05 12.98 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.561 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 32.9 Cg_exo -57.65 141.94 95.6 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.324 2.016 . . . . 0.0 111.362 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -71.18 -48.29 52.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.331 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -108.17 138.03 45.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.503 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -133.0 151.65 52.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.094 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.22 161.8 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.954 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.56 111.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.61 2.77 32.71 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.993 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -88.62 158.89 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 m -127.13 119.71 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 110.787 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.26 114.1 27.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -84.86 102.01 12.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.235 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 31.1 mt -82.4 98.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -82.45 114.56 20.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.424 ' SG ' HG22 ' A' ' 17' ' ' THR . 25.5 m -121.09 126.69 50.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -114.02 120.35 40.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.999 0.428 . . . . 0.0 110.205 174.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -85.84 121.2 28.16 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 172.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.439 ' HA ' ' OE1' ' A' ' 8' ' ' GLN . 22.9 t-80 -128.81 106.31 8.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.66 -174.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.6 mmm180 -118.61 173.0 7.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 112.829 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.06 -32.11 7.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.298 -176.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.76 -129.2 7.19 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.755 -177.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? 71.89 -67.77 0.25 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.589 0.756 . . . . 0.0 112.108 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 12' ' ' PRO . 95.6 m-85 -65.95 162.0 20.14 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -169.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -112.41 129.27 56.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.173 -176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 46.33 83.82 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.978 0.799 . . . . 0.0 113.111 171.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 102' ' ' SER . 6.1 m -137.77 113.98 10.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.96 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.26 159.07 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 65.8 m-85 -109.4 133.25 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.836 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.506 ' HB3' HD21 ' A' ' 73' ' ' LEU . 83.1 m-85 -124.93 136.78 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.385 . . . . 0.0 110.884 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.0 tt -111.94 133.66 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.476 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 23.0 ttp180 -156.21 106.22 2.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.346 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.502 ' CB ' ' HA ' ' A' ' 97' ' ' VAL . 19.5 p90 -105.31 158.7 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.485 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.435 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 69.5 t80 -122.76 144.35 49.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.957 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -110.28 94.69 19.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 94' ' ' THR . 24.3 Cg_exo -63.66 -38.01 43.25 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.109 1.873 . . . . 0.0 110.149 173.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.73 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 30.9 m-20 -108.99 106.82 16.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 171.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.95 72.69 1.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.499 -174.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.55 122.27 9.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.496 0.188 . . . . 0.0 110.501 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.25 154.52 9.41 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.616 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.478 HG22 ' HG3' ' A' ' 61' ' ' LYS . 90.4 m -122.32 111.85 17.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.725 0.298 . . . . 0.0 110.506 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 83' ' ' LEU . 53.2 tp -94.03 115.33 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HG3' HG22 ' A' ' 59' ' ' THR . 36.1 mtmm -120.4 152.98 37.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.733 0.301 . . . . 0.0 110.669 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.6 ttm -84.92 163.09 19.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -57.83 -20.35 35.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.28 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -89.27 -7.56 55.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.747 0.308 . . . . 0.0 110.802 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.13 -3.07 37.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.06 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.2 m -68.31 124.55 23.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.725 0.298 . . . . 0.0 111.278 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 48.4 t -81.93 116.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.815 176.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD12 ' HG ' ' A' ' 60' ' ' LEU . 43.7 mt -84.88 122.38 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.816 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.7 mt -93.05 143.26 26.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.864 0.364 . . . . 0.0 111.196 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.3 132.84 40.43 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.489 2.126 . . . . 0.0 111.883 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 73.08 -6.42 1.71 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.439 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -88.96 150.9 22.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 48' ' ' PHE . 6.7 tt -118.72 129.3 55.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.707 0.289 . . . . 0.0 111.029 -170.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -131.11 156.8 79.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.909 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.44 149.39 11.61 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.886 2.39 . . . . 0.0 111.84 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -91.3 119.47 68.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.557 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 63.0 Cg_endo -94.44 6.23 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.267 2.645 . . . . 0.0 114.125 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -150.9 157.07 27.0 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 119.866 -1.159 . . . . 0.0 113.5 -176.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -93.49 -40.1 10.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -104.72 81.06 1.72 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.446 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.3 164.54 13.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.867 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 32.3 mtm180 -129.71 128.38 42.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.328 -178.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 89.8 mt -102.43 115.86 31.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.942 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -99.85 101.06 12.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.14 0.495 . . . . 0.0 110.932 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -86.8 114.26 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.129 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.7 m -85.65 113.54 21.95 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -73.59 108.4 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.391 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.44 -6.69 21.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.882 174.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.1 t -106.89 143.43 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.133 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.5 t -115.08 3.06 14.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.204 0.526 . . . . 0.0 109.978 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -119.83 -173.7 2.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.907 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -65.26 103.43 0.79 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.325 0.583 . . . . 0.0 110.547 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.73 ' HG2' ' HB2' ' A' ' 55' ' ' ASP . 25.0 tm0? -121.66 133.24 54.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.192 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.456 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 86.4 m -108.47 118.57 37.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -101.38 120.84 51.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.89 172.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -113.11 110.69 20.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.098 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.502 ' HA ' ' CB ' ' A' ' 51' ' ' TYR . 39.5 t -104.95 121.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 -173.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 97.4 m-85 -99.12 122.07 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.791 0.329 . . . . 0.0 110.776 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 39.7 m-85 -108.8 111.9 23.89 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 48' ' ' PHE . 11.3 pt20 -105.8 130.51 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.607 0.718 . . . . 0.0 112.18 -172.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.468 ' OD2' ' HA ' ' A' ' 12' ' ' PRO . 10.8 t70 -80.87 157.96 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 175.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.613 ' HB2' HG23 ' A' ' 45' ' ' THR . 49.3 m -69.37 -25.23 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.27 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -80.13 -20.13 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 0.0 110.819 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.84 -3.37 10.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.968 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.49 102.2 3.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -106.8 134.28 50.19 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.415 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -110.07 110.4 21.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.815 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -92.23 111.08 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.456 HD13 HG21 ' A' ' 17' ' ' THR . 68.1 mt -99.89 108.95 21.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.8 m -100.7 115.95 31.46 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.603 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -113.92 118.63 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.674 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 52.1 m -115.07 119.96 38.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 114' ' ' ASN . 80.7 m-85 -96.13 174.88 6.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -169.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 113' ' ' PHE . 27.0 t-20 84.53 -67.62 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.725 1.21 . . . . 0.0 111.477 177.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -154.83 -65.37 0.13 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.1 t70 65.81 -176.71 0.18 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.84 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.6 t -70.6 -27.0 63.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.6 m 77.35 149.95 0.11 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.716 172.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -121.54 138.2 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.019 173.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -116.68 37.32 3.81 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.262 0.554 . . . . 0.0 109.581 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 63.59 -161.99 0.28 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.423 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -97.47 106.59 18.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.034 0.445 . . . . 0.0 111.183 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.4 mp -89.9 -43.61 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.244 0.545 . . . . 0.0 109.849 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 125' ' ' HIS . 0.0 OUTLIER -115.99 178.8 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.009 -177.774 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 124' ' ' GLU . 64.8 m80 75.02 12.68 3.41 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.203 0.601 . . . . 0.0 112.283 173.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -128.33 -53.69 1.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.65 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -76.67 -61.53 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.037 -175.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -103.65 100.46 10.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.809 0.814 . . . . 0.0 110.355 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -141.16 -9.46 0.99 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.243 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 45.2 t60 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.821 -179.048 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--O 1.236 0.381 0 CA-C-O 121.241 0.543 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -107.81 134.35 50.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.876 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.22 113.01 43.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -86.44 110.45 19.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.515 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 74.9 p -109.84 139.78 44.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.547 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 7.2 ptp -71.23 145.5 91.03 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.086 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.69 110.9 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.623 2.216 . . . . 0.0 111.711 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -78.53 158.89 75.58 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.128 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -55.58 133.54 58.68 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.526 2.151 . . . . 0.0 111.931 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -89.98 -14.78 33.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.293 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -129.39 132.53 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.697 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.86 152.12 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.461 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -113.93 170.41 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.7 115.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.5 50.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.72 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.81 144.12 39.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.2 m -122.54 124.65 44.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.53 123.51 36.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.374 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.588 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -89.56 100.55 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.434 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 44.6 mt -93.68 98.59 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.252 0.548 . . . . 0.0 110.675 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HB3' ' HG2' ' A' ' 18' ' ' MET . 60.5 ttp85 -80.26 117.38 20.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.18 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 32' ' ' ILE . 32.8 m -119.14 131.95 55.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -129.19 114.34 16.18 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.9 tt -88.63 116.73 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -176.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -91.88 113.63 25.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.68 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.586 HG23 ' HB3' ' A' ' 102' ' ' SER . 42.9 m . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 120.871 0.367 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HB2' ' HE2' ' A' ' 46' ' ' LYS . 2.6 mppt? -96.13 142.36 28.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.17 141.22 31.37 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.554 ' HB3' HD11 ' A' ' 73' ' ' LEU . 95.1 m-85 -114.19 124.43 52.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.0 tt -106.88 129.95 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.433 0.635 . . . . 0.0 111.419 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 50' ' ' ARG . 44.7 ttp180 -150.93 140.57 21.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.403 ' CE1' HD23 ' A' ' 60' ' ' LEU . 35.7 p90 -133.92 144.0 48.57 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.831 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -107.76 131.62 54.25 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -118.58 102.62 49.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.5 Cg_exo -61.85 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.9 2.4 . . . . 0.0 111.453 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.21 -73.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.226 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.46 -26.33 3.07 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 113.159 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . -128.09 172.95 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.308 0.554 . . . . 0.0 111.483 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 126.6 3.01 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.688 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -94.92 111.82 23.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.68 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 83' ' ' LEU . 51.7 tp -106.91 111.8 24.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HG2' HG22 ' A' ' 67' ' ' VAL . 58.1 mtmt -116.04 143.74 45.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.7 ttm -76.42 156.63 32.97 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 82' ' ' ARG . 48.4 t -55.15 -28.05 49.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.87 0.367 . . . . 0.0 111.42 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.07 3.68 29.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.701 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.79 -3.81 65.45 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.093 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -71.75 116.49 12.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' ' 61' ' ' LYS . 96.8 t -76.95 126.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.5 mt -101.94 118.89 37.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 0.0 110.861 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -92.49 134.27 28.31 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.897 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.58 -33.62 96.84 Favored 'Trans proline' 0 N--CA 1.474 0.36 0 C-N-CA 123.185 2.59 . . . . 0.0 113.412 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -85.71 -7.93 58.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.308 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.44 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 4.1 t70 -99.41 -172.46 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 48' ' ' PHE . 54.4 tp -148.54 117.16 6.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.8 m-85 -119.66 145.79 40.01 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.851 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 2.2 Cg_endo -82.57 141.27 11.01 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.885 2.39 . . . . 0.0 111.731 175.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.6 145.42 54.65 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.681 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.98 -10.24 18.05 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.717 2.278 . . . . 0.0 112.934 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -164.63 35.42 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.58 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -78.85 -31.38 45.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 0.0 110.555 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.7 p -96.05 98.47 10.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -138.17 153.27 49.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.35 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 91.1 mtm180 -129.71 143.09 50.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.2 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.603 ' HB3' HD11 ' A' ' 60' ' ' LEU . 89.8 mt -119.64 129.18 54.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.696 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 90.8 m-85 -107.46 103.78 13.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.959 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.487 ' HB2' HD13 ' A' ' 60' ' ' LEU . 68.7 t80 -100.33 112.37 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.459 -178.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -93.44 108.42 20.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.888 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -71.82 126.25 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.0 20.79 11.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.331 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 20.0 m -127.38 153.63 46.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.508 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -98.08 10.88 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.053 0.454 . . . . 0.0 111.136 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -163.38 1.04 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.96 113.48 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.658 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.8 mp0 -80.59 110.08 15.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.28 0.562 . . . . 0.0 109.573 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.545 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 17.5 m -109.44 110.97 22.24 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.783 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -120.67 108.88 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.22 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 44.9 t0 -97.58 110.15 22.77 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.9 t -100.88 130.71 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.53 ' HB3' HD11 ' A' ' 106' ' ' LEU . 43.2 m-85 -111.74 122.66 48.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.376 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -108.61 111.9 23.96 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 173.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -103.43 122.71 45.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.025 0.441 . . . . 0.0 110.767 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.48 156.77 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.794 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.586 ' HB3' HG23 ' A' ' 45' ' ' THR . 30.0 t -68.33 -26.83 65.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.387 -176.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -81.45 -5.88 58.37 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 111.093 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.79 7.3 39.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -88.39 128.35 35.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.338 0.569 . . . . 0.0 109.882 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 98' ' ' TYR . 52.2 tp -106.91 123.76 48.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.48 109.68 20.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.822 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -105.9 133.75 50.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.0 111.278 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.26 109.76 12.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.56 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 4.4 m -94.02 113.67 25.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.335 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -104.22 125.92 50.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.3 p -107.33 108.51 19.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.982 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.658 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 74.2 m-85 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.208 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' HE2' HD11 ' A' ' 15' ' ' ILE . 33.0 p90 . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 t -107.32 117.62 34.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.928 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.608 ' HB ' HE22 ' A' ' 107' ' ' GLN . 61.1 mt -103.72 108.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -99.92 156.59 17.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.216 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -131.3 150.89 51.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.461 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -73.91 150.62 88.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.077 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.59 107.71 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.06 161.29 68.87 Favored Pre-proline 0 C--O 1.238 0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.285 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.15 149.53 62.84 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.777 2.318 . . . . 0.0 111.749 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -83.11 -12.29 57.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -174.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -151.4 153.97 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -136.96 137.72 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.882 0.372 . . . . 0.0 111.136 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 54.5 tttm -81.72 154.2 26.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.785 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.87 119.8 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.49 -18.05 55.82 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -175.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 36.9 tt0 -77.66 129.11 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.1 m -108.69 129.7 55.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.054 0.454 . . . . 0.0 111.095 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 130.12 55.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.26 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.67 117.77 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 110.384 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 51.6 mt -101.26 99.68 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -80.28 128.49 33.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 t -118.73 150.82 39.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.427 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -140.01 113.4 8.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -88.66 108.78 19.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.12 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -91.58 106.69 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.461 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.72 HH21 ' HE2' ' A' ' 47' ' ' TYR . 68.9 mtt85 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 171.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.95 0.405 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -90.59 129.08 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.72 ' HE2' HH21 ' A' ' 38' ' ' ARG . 68.8 m-85 -100.3 129.79 46.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.405 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.574 ' HB3' HD11 ' A' ' 73' ' ' LEU . 72.2 m-85 -118.46 139.92 50.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -176.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.4 tt -115.07 133.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 111.052 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.47 ' NE ' HD13 ' A' ' 73' ' ' LEU . 14.3 ptp180 -148.75 136.15 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.8 p90 -120.71 156.84 30.93 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.636 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -135.61 108.96 7.82 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.789 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' HE2' ' A' ' 51' ' ' TYR . 4.6 pt20 -104.52 114.3 64.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.186 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.72 -33.68 97.1 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.62 2.214 . . . . 0.0 111.051 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -86.0 106.82 17.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.509 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.39 63.85 4.36 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.809 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -158.97 87.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.991 0.424 . . . . 0.0 110.425 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.89 147.86 7.7 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.801 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 91.6 m -118.75 112.3 19.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.754 0.311 . . . . 0.0 110.857 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HG ' HD12 ' A' ' 68' ' ' LEU . 55.9 tp -111.28 109.31 19.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.891 0.377 . . . . 0.0 110.228 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 36.8 mtmm -116.05 145.87 42.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.015 0.436 . . . . 0.0 110.689 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.2 ttp -89.47 152.81 21.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -57.53 -23.95 53.29 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.03 -20.11 65.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.939 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.96 -1.27 38.45 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.1 m -73.61 121.65 21.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.992 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 55.4 t -80.36 120.82 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.57 HD12 ' HG ' ' A' ' 60' ' ' LEU . 73.6 mt -90.22 129.37 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -176.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 3.9 mm? -104.26 155.25 37.5 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.581 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 40.5 Cg_endo -68.76 131.25 22.23 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.233 1.955 . . . . 0.0 111.629 174.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.3 m120 74.58 -35.22 0.29 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.259 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' HB2' ' HB2' ' A' ' 69' ' ' LEU . 2.8 m-20 -64.81 143.06 58.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.636 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 48' ' ' PHE . 23.0 tp -105.78 129.41 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.545 -170.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 60.7 m-85 -123.25 135.94 26.52 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.631 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.4 Cg_exo -76.26 139.01 20.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.796 2.331 . . . . 0.0 111.924 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.2 117.36 68.13 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.661 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -87.18 1.14 7.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.169 2.579 . . . . 0.0 112.288 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.55 179.09 30.15 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.043 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 8.5 pt-20 -124.42 -18.54 5.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.017 0.436 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -110.3 31.11 6.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.281 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -66.64 151.61 47.02 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.181 -174.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -111.39 130.07 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.57 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.5 mt -102.9 138.34 39.91 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.317 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -118.49 102.85 9.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.106 0.479 . . . . 0.0 110.474 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -100.92 117.57 35.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.868 -177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.7 m -99.21 121.41 41.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.744 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 20.3 t -75.62 126.73 31.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -110.71 -4.04 15.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.211 0.529 . . . . 0.0 110.22 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 42.1 t -112.57 148.68 34.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.822 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -111.61 8.56 20.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.467 0.651 . . . . 0.0 109.47 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -111.52 -165.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.024 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -56.58 118.09 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.744 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 9.8 tt0 -119.4 114.35 22.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.921 0.391 . . . . 0.0 110.191 -173.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 m -112.83 121.63 45.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.215 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -128.17 113.67 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.346 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -102.7 113.27 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.48 126.14 57.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -175.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.98 123.79 48.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -109.31 113.51 26.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 173.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.504 ' HB3' HD23 ' A' ' 106' ' ' LEU . 3.9 pt20 -115.36 145.17 42.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.349 0.595 . . . . 0.0 111.54 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 19.4 t70 -108.6 161.55 14.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.229 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -65.86 -25.7 67.31 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -79.34 -23.53 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.462 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.78 -3.08 7.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.982 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 13.7 mm100 -63.52 142.61 58.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.724 0.297 . . . . 0.0 110.343 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.8 tm? -142.4 116.62 9.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.608 HE22 ' HB ' ' A' ' 15' ' ' ILE . 20.7 tt0 -113.92 118.5 34.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -105.15 126.76 52.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.006 0.432 . . . . 0.0 110.921 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -114.81 110.4 19.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.01 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 m -92.74 113.49 25.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -97.82 119.35 36.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.461 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.4 m -108.67 110.57 22.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.173 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.744 ' HB2' ' HB3' ' A' ' 93' ' ' GLN . 83.1 m-85 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.856 ' HA ' HE22 ' A' ' 107' ' ' GLN . 6.3 p -145.07 130.22 18.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.483 -177.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.0 mt -106.59 117.17 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 0.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.41 113.4 25.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.022 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -96.75 133.86 40.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.6 mmt -72.24 144.84 87.57 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.495 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.74 130.84 31.84 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.207 2.604 . . . . 0.0 112.738 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 27.5 m -99.76 161.38 24.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 25.9 Cg_endo -62.97 165.03 17.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.933 2.422 . . . . 0.0 112.234 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.64 -31.85 18.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 149.87 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.204 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 30' ' ' ALA . 68.7 mt -127.19 143.1 51.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 49.1 mtpt -98.03 165.95 11.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.976 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.97 114.39 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.37 -3.57 59.78 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.804 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . 8.3 tp10 -83.56 125.3 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 28.0 m -103.93 118.95 37.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.925 0.393 . . . . 0.0 111.086 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -93.37 123.16 36.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.214 177.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -86.31 101.22 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 49.3 mt -93.14 99.08 9.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -81.88 126.69 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.2 m -113.17 127.17 56.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.345 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.63 111.72 22.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.654 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -86.65 123.32 31.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.05 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -81.77 107.38 14.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.135 -178.114 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -107.7 140.22 41.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.382 0.611 . . . . 0.0 111.674 -169.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.533 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 1.1 m-85 -97.75 138.54 34.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.532 -175.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 73' ' ' LEU . 81.8 m-85 -125.58 149.9 47.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.76 0.314 . . . . 0.0 110.336 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.542 ' HB ' HD21 ' A' ' 76' ' ' LEU . 16.7 tt -121.77 134.75 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.212 0.53 . . . . 0.0 110.87 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 9.0 ttp180 -153.73 117.39 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.166 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -110.45 152.8 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.36 -176.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -122.24 121.03 35.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.951 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -110.96 94.02 19.19 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 94' ' ' THR . 36.8 Cg_endo -67.35 -47.77 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.114 1.876 . . . . 0.0 112.134 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -144.17 120.78 11.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.99 -176.93 30.11 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 89' ' ' SER . . . -153.81 101.75 2.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.921 0.391 . . . . 0.0 110.606 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.442 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . -156.89 148.93 19.42 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.895 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -97.11 111.92 23.93 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -95.02 110.71 22.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.072 0.463 . . . . 0.0 110.522 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.035 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.494 ' SD ' ' HD3' ' A' ' 77' ' ' PRO . 38.1 ttp -96.74 165.07 12.3 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 2.4 p -55.31 -23.62 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.33 -4.69 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.686 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 7.35 76.86 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.8 m -80.38 119.17 22.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.123 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -76.94 112.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.61 152.56 27.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.2 156.06 75.23 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 7.6 Cg_exo -74.09 152.36 45.56 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.723 2.282 . . . . 0.0 112.247 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 94.3 m-20 77.33 -52.68 0.55 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.628 0.771 . . . . 0.0 112.31 177.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.21 165.25 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 48' ' ' PHE . 36.8 tp -119.32 137.4 53.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -167.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 59.3 m-85 -124.24 147.87 56.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.231 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 2.4 Cg_endo -81.98 145.82 14.21 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.942 2.428 . . . . 0.0 112.79 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.542 HD21 ' HB ' ' A' ' 49' ' ' ILE . 87.5 mt -88.08 146.29 38.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.494 ' HD3' ' SD ' ' A' ' 62' ' ' MET . 58.2 Cg_endo -73.05 -19.95 22.38 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.007 2.472 . . . . 0.0 113.778 -175.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.23 -156.1 27.78 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.532 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -72.28 -47.81 47.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.427 . . . . 0.0 110.93 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -106.42 131.49 53.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -156.15 171.87 19.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 55.8 mtt180 -118.83 137.17 53.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.52 -177.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.472 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 79.4 mt -112.76 115.34 28.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 172.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.53 101.55 13.02 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.085 0.469 . . . . 0.0 110.462 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.442 ' CZ ' ' HA3' ' A' ' 58' ' ' GLY . 83.7 t80 -96.16 100.68 12.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.388 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 44.1 m -86.1 109.19 18.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.842 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 40.8 t -67.53 144.16 55.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.794 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.85 13.21 5.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.568 ' HB3' ' HB3' ' A' ' 57' ' ' ALA . 61.3 p -145.0 159.48 42.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.8 t -101.58 -9.43 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.841 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.85 177.54 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.981 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 151.18 45.82 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' A' ' 112' ' ' SER . 88.6 mt-30 -128.04 115.87 19.14 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 -176.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 25.9 m -109.64 105.68 15.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.127 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.0 t -121.28 112.87 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.42 110.88 21.97 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.69 121.31 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.979 0.419 . . . . 0.0 110.598 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 40.5 m-85 -94.39 122.72 37.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.591 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -109.34 111.95 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.477 ' HB3' HD23 ' A' ' 106' ' ' LEU . 16.1 pt20 -121.8 140.16 52.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.798 -174.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -115.74 158.65 22.51 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.669 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -71.89 -3.78 24.4 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -79.32 -17.83 53.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 109.457 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.7 -8.22 34.22 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.65 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.43 142.03 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 110.328 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.6 tm? -137.83 118.7 14.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.498 -176.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.856 HE22 ' HA ' ' A' ' 14' ' ' SER . 17.3 mt-30 -118.08 112.76 20.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.357 0.599 . . . . 0.0 110.827 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -93.3 112.4 24.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.392 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -105.46 112.56 25.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.009 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.5 m -92.4 113.41 25.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.121 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.78 121.6 41.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.222 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.609 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 10.4 t -121.54 108.69 13.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.898 179.802 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.609 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 95.5 m-85 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.2 m -154.29 156.29 36.71 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' CG ' ' A' ' 99' ' ' PHE . 50.5 mm -112.5 115.34 49.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.319 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.49 116.82 29.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 0.0 110.271 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.485 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 26.8 p -101.8 137.31 40.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.201 -175.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.604 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 85.4 mtp -80.87 144.74 56.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.6 121.53 7.35 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.827 2.351 . . . . 0.0 112.689 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.532 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 33.8 m -83.32 164.89 43.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.432 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.532 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 10.9 Cg_endo -55.79 133.11 56.09 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.473 2.115 . . . . 0.0 111.059 173.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -86.9 3.64 44.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.51 126.55 13.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.047 0.451 . . . . 0.0 110.72 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 30' ' ' ALA . 90.0 mt -126.86 140.24 52.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -119.02 168.78 10.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.38 120.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.56 60.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.308 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -89.45 142.67 27.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.792 0.329 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 31.1 m -108.99 123.78 49.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.039 0.447 . . . . 0.0 110.654 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -95.36 128.27 42.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' CD ' ' HD2' ' A' ' 82' ' ' ARG . 37.0 tt0 -89.61 104.5 17.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.058 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.702 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 55.1 mt -89.96 102.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.8 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 55.7 mtt180 -85.41 119.61 25.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.189 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.69 134.22 55.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.056 -173.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -123.56 114.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.168 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.4 tt -75.77 124.19 26.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.122 0.487 . . . . 0.0 110.586 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -102.65 111.19 23.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.229 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' HD3' ' OE2' ' A' ' 79' ' ' GLU . 16.2 ptt180 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 120.71 0.29 . . . . 0.0 110.979 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.445 -0.677 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.9 130.16 36.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.061 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' HD12 ' A' ' 76' ' ' LEU . 10.7 m-85 -97.51 160.84 14.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.576 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -120.02 135.99 54.72 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.861 0.363 . . . . 0.0 110.4 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.423 ' HB ' HD21 ' A' ' 76' ' ' LEU . 20.3 tt -104.95 137.09 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.211 0.529 . . . . 0.0 110.401 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 1.145 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 29.7 tpt180 -128.4 149.84 50.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.002 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.527 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 61.2 m-85 -136.69 158.33 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.942 0.401 . . . . 0.0 111.742 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 91.6 t80 -151.58 130.24 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.258 175.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -132.77 106.82 12.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.431 0.634 . . . . 0.0 111.837 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 5.8 Cg_exo -78.27 -32.34 2.41 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.888 2.392 . . . . 0.0 112.331 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.73 126.46 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.821 ' HA3' ' HG2' ' A' ' 93' ' ' GLN . . . 141.35 169.04 11.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.394 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.62 125.79 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.88 163.35 36.78 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.568 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.496 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 40.0 m -112.57 112.55 24.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD21 ' CZ ' ' A' ' 51' ' ' TYR . 64.9 tp -111.87 123.6 50.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.456 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG2' HG22 ' A' ' 67' ' ' VAL . 56.1 mtmt -134.88 156.0 49.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.189 0.519 . . . . 0.0 110.808 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.5 ttm -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.6 t -58.77 -24.99 62.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 111.518 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.43 1.37 25.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.359 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.42 11.96 70.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.64 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.0 m -88.11 118.05 27.42 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 122.912 -0.17 . . . . 0.0 110.597 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 61' ' ' LYS . 85.1 t -67.96 131.18 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.526 HD13 ' HE2' ' A' ' 51' ' ' TYR . 70.3 mt -106.72 108.84 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -173.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 89.5 mt -104.8 146.61 32.97 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.459 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 8.1 Cg_exo -73.87 12.0 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.19 2.594 . . . . 0.0 112.622 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -92.39 -30.91 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.01 177.13 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 111.459 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 50' ' ' ARG . 18.6 mt -108.78 136.47 48.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.568 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.2 m-85 -116.4 128.15 26.21 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.459 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 13.5 Cg_exo -69.44 128.17 15.92 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.8 2.333 . . . . 0.0 111.934 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 47' ' ' TYR . 95.6 mt -79.49 118.27 71.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.595 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -81.27 6.76 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.914 2.409 . . . . 0.0 112.278 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.03 165.33 38.06 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.314 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 38.3 mt-10 -106.6 -23.77 12.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -103.62 99.6 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -140.53 173.52 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 111.69 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HD2' ' CD ' ' A' ' 31' ' ' GLU . 85.7 mtm180 -130.02 133.99 47.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.454 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.702 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.4 mt -106.05 125.76 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.933 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -105.22 111.1 23.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.2 0.524 . . . . 0.0 111.177 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -114.49 111.94 22.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.904 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 38.8 m -86.01 111.3 20.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 p -74.31 114.76 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 110.706 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.37 21.07 16.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.301 0.572 . . . . 0.0 110.43 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.4 m -115.69 145.83 42.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.56 -16.53 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.522 . . . . 0.0 110.317 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -116.06 -166.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.97 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 3.8 pt20 -63.12 152.41 37.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.128 0.489 . . . . 0.0 111.653 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.821 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 0.1 OUTLIER -145.75 118.55 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.13 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.0 m -102.35 121.78 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.992 0.425 . . . . 0.0 111.416 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.0 t -111.0 112.8 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.856 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.537 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 7.0 t70 -91.91 111.48 23.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.45 129.33 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.637 -171.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 1.145 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 68.4 m-85 -113.98 130.3 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.156 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 15' ' ' ILE . 97.4 m-85 -113.42 111.65 22.31 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -115.56 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 0.0 111.42 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.33 164.7 14.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.052 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -62.45 -31.79 72.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -79.49 -24.83 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.57 0.224 . . . . 0.0 110.622 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 122.16 12.6 5.22 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.486 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.609 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 6.7 tp60 -75.75 119.69 20.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 98' ' ' TYR . 45.0 tp -117.04 125.85 51.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.028 -173.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -109.94 128.67 55.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.184 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -108.19 116.91 32.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.453 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 109.22 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.685 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.2 m -97.03 117.59 31.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.397 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.0 m-85 -103.82 117.84 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 p -118.37 108.22 14.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.1 0.476 . . . . 0.0 110.285 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 92.2 m-85 . . . . . 0 C--N 1.321 -0.636 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -96.73 112.92 24.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.772 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.467 HD12 ' HG3' ' A' ' 107' ' ' GLN . 55.1 mt -108.92 110.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 152.96 26.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.404 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' SG ' ' A' ' 34' ' ' CYS . 23.1 p -119.41 139.27 52.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.202 -177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 96.5 mmm -75.59 126.01 87.91 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.81 126.58 13.02 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.813 3.009 . . . . 0.0 113.923 -171.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.36 158.78 54.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.245 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -68.41 146.93 70.22 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.316 2.011 . . . . 0.0 112.024 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -84.61 -27.23 27.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 0.0 109.951 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -107.0 122.88 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.251 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.11 107.64 14.74 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.638 0.732 . . . . 0.0 111.269 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 50.5 tptt -68.43 148.79 50.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.605 176.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.95 111.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.83 4.1 48.79 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.512 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 8.6 tp10 -82.46 151.34 26.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -114.79 111.29 21.01 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.47 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . . . -82.77 97.63 8.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.517 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -79.62 109.63 14.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.643 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 32.1 mt -106.46 99.12 7.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -88.78 118.49 28.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.98 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' SG ' HG22 ' A' ' 17' ' ' THR . 33.4 m -116.38 145.06 43.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.754 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.592 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 53.1 tt0 -136.11 127.24 28.01 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.195 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -94.87 123.45 38.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.187 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -101.79 112.84 25.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 176.033 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -90.5 137.24 32.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.674 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.715 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 47.7 m-85 -100.99 161.37 13.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.494 ' HB3' HD11 ' A' ' 73' ' ' LEU . 96.3 m-85 -131.54 143.87 50.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.705 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.419 ' HB ' HD21 ' A' ' 76' ' ' LEU . 13.5 tt -122.38 136.05 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.042 0.448 . . . . 0.0 110.673 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -150.05 117.33 6.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.696 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.532 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.0 p90 -108.06 147.97 30.43 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.936 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -117.06 126.36 52.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.526 ' HB2' ' HE2' ' A' ' 51' ' ' TYR . 59.6 tt0 -126.94 79.19 73.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 -175.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.56 -15.15 7.55 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.558 2.172 . . . . 0.0 112.114 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.83 100.76 4.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.221 -171.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.667 ' HA3' ' HG3' ' A' ' 93' ' ' GLN . . . 136.41 -178.97 18.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.871 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.43 -174.73 3.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.63 -163.57 12.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.421 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.7 m -147.64 131.82 17.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.22 0.208 . . . . 0.0 110.474 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.5 tp -112.7 124.53 52.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.524 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -120.75 155.81 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.6 ttm -94.64 165.91 12.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.6 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 11.9 p -54.92 -28.02 47.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.43 5.0 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.265 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.37 0.86 86.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.117 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -72.71 118.18 15.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.484 0.183 . . . . 0.0 110.812 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.15 130.95 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.81 149.59 21.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 95.4 mt -122.07 148.72 52.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.405 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.532 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.0 Cg_exo -65.4 128.48 20.38 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.84 2.36 . . . . 0.0 112.577 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 67.33 14.25 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.738 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.13 126.57 52.37 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 48' ' ' PHE . 20.9 tp -88.72 112.49 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.148 0.499 . . . . 0.0 111.266 -172.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -106.93 149.95 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.29 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.42 149.94 19.31 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.255 1.97 . . . . 0.0 112.621 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.715 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.9 mt -99.04 122.33 52.8 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.084 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.18 6.02 5.87 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.998 2.465 . . . . 0.0 113.544 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.97 179.25 48.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.386 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 35' ' ' GLN . 25.7 mt-10 -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.171 0.51 . . . . 0.0 109.949 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 34.7 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.197 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -71.77 151.38 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.345 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -120.62 136.09 54.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.9 mt -104.17 140.4 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.663 0.268 . . . . 0.0 110.644 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.6 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 66.3 m-85 -110.65 101.53 10.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 69.0 t80 -96.83 128.1 43.46 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.571 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.7 m -106.8 125.6 51.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.798 0.332 . . . . 0.0 110.771 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -99.01 133.76 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.71 10.11 10.92 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 t -164.63 -172.58 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -130.2 7.39 5.02 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.41 177.31 8.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.617 -0.677 . . . . 0.0 111.315 -176.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -75.7 127.53 33.24 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.882 0.373 . . . . 0.0 111.52 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.667 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 6.9 tt0 -129.59 146.8 51.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.371 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -128.7 114.52 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.253 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.1 t -120.13 128.39 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.746 0.307 . . . . 0.0 111.396 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.3 111.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.6 t -104.16 116.39 47.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.533 ' HD2' HD13 ' A' ' 106' ' ' LEU . 86.5 m-85 -103.03 125.19 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 61.8 m-85 -109.5 111.76 23.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 171.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.77 146.28 39.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -172.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -114.35 178.84 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.608 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -71.5 -18.95 62.26 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.472 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 87.5 t80 -79.51 -20.52 47.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 0.0 110.31 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.4 1.18 43.94 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.572 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -78.1 114.42 16.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.533 HD13 ' HD2' ' A' ' 98' ' ' TYR . 3.4 pp -117.72 139.29 51.24 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.207 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.467 ' HG3' HD12 ' A' ' 15' ' ' ILE . 14.9 mm100 -109.2 109.55 20.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -95.96 116.15 28.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.659 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.407 HD12 ' HE2' ' A' ' 99' ' ' PHE . 73.5 mt -105.22 120.18 40.89 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.439 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.2 m -92.84 114.97 27.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.073 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -109.75 119.46 39.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.2 t -92.51 107.78 19.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 121.331 0.586 . . . . 0.0 111.639 -174.692 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.709 0.29 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.5 t -119.5 128.04 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.006 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 36' ' ' LEU . 54.8 mt -92.34 119.98 40.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -94.52 141.87 28.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -125.53 141.48 52.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.905 0.383 . . . . 0.0 111.295 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.478 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.1 mpt? -77.78 130.68 72.63 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.716 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -59.18 144.04 99.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.207 2.605 . . . . 0.0 112.863 -175.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.31 155.28 63.29 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.446 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.83 151.29 74.19 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.423 2.082 . . . . 0.0 111.307 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -89.2 9.83 24.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.913 0.387 . . . . 0.0 110.007 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -135.91 111.91 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 30' ' ' ALA . 32.2 mt -133.83 131.31 39.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.286 0.565 . . . . 0.0 111.299 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 4.6 ttmp? -92.41 153.84 18.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.083 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.24 123.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.65 66.14 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.726 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 29.5 tt0 -94.16 154.75 17.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -113.42 142.28 46.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -125.8 119.24 27.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.937 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 9.4 pt-20 -81.74 103.84 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.794 0.807 . . . . 0.0 111.072 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -84.05 99.51 6.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.278 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.441 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 28.1 mtp180 -76.07 133.76 40.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.247 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 m -130.47 127.39 39.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.909 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.499 ' HG3' HG22 ' A' ' 80' ' ' THR . 48.4 tt0 -127.26 112.55 15.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.082 0.468 . . . . 0.0 110.364 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . 8.0 tt -78.89 124.5 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.795 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -75.57 113.32 12.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.193 0.52 . . . . 0.0 109.929 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.362 -171.851 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -87.16 131.15 34.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 10.9 m-85 -103.05 130.0 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 73' ' ' LEU . 95.9 m-85 -119.85 148.32 43.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.93 0.395 . . . . 0.0 111.319 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.45 ' HB ' HD21 ' A' ' 76' ' ' LEU . 11.0 tt -121.07 138.08 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -155.07 112.81 3.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.459 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -110.4 161.44 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.297 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -130.36 136.39 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.298 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.625 HE21 ' HB3' ' A' ' 55' ' ' ASP . 52.4 tt0 -124.63 111.63 27.67 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.279 -178.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.606 ' HD2' ' O ' ' A' ' 94' ' ' THR . 39.3 Cg_exo -61.95 -31.69 84.48 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.498 2.132 . . . . 0.0 111.448 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.625 ' HB3' HE21 ' A' ' 53' ' ' GLN . 19.3 t70 -71.86 160.55 32.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.673 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -111.11 8.12 29.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.276 -0.964 . . . . 0.0 114.133 -172.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.69 104.41 4.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.951 0.876 . . . . 0.0 112.222 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.3 154.92 15.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 m -140.36 112.52 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.564 0.682 . . . . 0.0 111.47 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 83' ' ' LEU . 57.2 tp -98.4 126.29 43.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HE2' HG22 ' A' ' 67' ' ' VAL . 96.2 mttt -116.59 153.5 32.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.04 0.447 . . . . 0.0 110.62 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.5 ttm -88.29 160.34 17.7 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.68 ' HB3' ' HG3' ' A' ' 82' ' ' ARG . 3.2 p -48.87 -34.0 11.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.13 -23.35 62.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.374 . . . . 0.0 111.521 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.82 -6.08 25.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.781 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.8 m -64.23 120.05 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.099 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.426 HG22 ' HE2' ' A' ' 61' ' ' LYS . 96.6 t -76.97 125.68 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.5 mt -95.24 126.41 40.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -94.52 146.05 30.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 26.3 Cg_endo -62.98 140.81 81.18 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.38 2.054 . . . . 0.0 111.864 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 12.7 m120 73.6 -5.79 1.92 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.622 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.83 156.99 16.35 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 48' ' ' PHE . 28.3 tp -111.71 125.9 54.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.067 0.461 . . . . 0.0 110.999 -173.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.4 m-85 -125.77 144.83 49.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.277 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.8 Cg_exo -82.03 142.16 12.2 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.829 2.353 . . . . 0.0 112.063 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.45 HD21 ' HB ' ' A' ' 49' ' ' ILE . 96.9 mt -83.66 142.96 43.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.26 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.1 -8.39 22.76 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.8 2.333 . . . . 0.0 113.481 -175.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.01 34.81 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.97 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.59 -38.86 87.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.371 . . . . 0.0 111.119 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.499 HG22 ' HG3' ' A' ' 35' ' ' GLN . 11.5 p -107.08 116.5 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -155.07 -174.22 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.68 ' HG3' ' HB3' ' A' ' 63' ' ' SER . 3.3 ptp85 -147.82 144.89 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.948 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.419 ' HB3' HD11 ' A' ' 60' ' ' LEU . 95.8 mt -110.78 119.54 39.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.075 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 82.1 m-85 -87.33 97.62 10.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.85 0.357 . . . . 0.0 110.195 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -80.67 123.84 28.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.298 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.2 m -98.84 110.13 22.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.157 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 8.6 m -72.8 110.17 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.198 -175.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.03 -16.68 24.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.1 m -136.76 143.02 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.644 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.8 m -105.37 -2.05 24.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -69.27 176.62 3.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.986 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 34.3 tt0 -75.02 102.3 4.79 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.454 0.645 . . . . 0.0 110.382 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 112' ' ' SER . 18.1 pt20 -117.15 148.39 41.62 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.259 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.606 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 28.3 m -124.73 118.83 27.31 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.003 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.64 123.68 72.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.035 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -109.54 111.28 22.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.2 t -103.34 122.26 55.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -100.99 125.15 47.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.929 0.395 . . . . 0.0 110.429 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 90.2 m-85 -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 29.0 pt20 -131.73 143.09 50.0 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -133.7 172.19 13.11 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.466 -178.072 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -75.65 -11.52 60.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.75 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.5 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 53.0 t80 -78.38 -24.18 46.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.118 0.485 . . . . 0.0 109.805 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.46 6.83 12.82 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.986 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 6.1 tt0 -70.8 135.05 47.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 99' ' ' PHE . 54.3 tp -146.03 114.3 6.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.72 129.08 47.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.239 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.51 113.64 27.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.254 0.549 . . . . 0.0 110.014 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.405 HD12 ' HE2' ' A' ' 99' ' ' PHE . 61.2 mt -103.93 109.29 20.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.355 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -103.43 113.69 27.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.203 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -119.85 128.69 53.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 110.989 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 7.8 p -122.71 141.18 52.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.579 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.541 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 80.6 m-85 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' HE1' ' HB3' ' A' ' 105' ' ' GLN . 6.4 p90 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p -119.22 133.79 55.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 110.956 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.9 mt -102.98 115.49 45.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.049 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -85.73 115.58 23.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.843 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.428 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.6 p -108.25 121.85 45.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.665 0.269 . . . . 0.0 110.975 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.24 135.04 94.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.512 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.12 116.1 2.81 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.067 2.511 . . . . 0.0 112.421 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -79.74 162.79 61.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.985 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.16 125.82 15.93 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.202 1.935 . . . . 0.0 111.211 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.59 -27.06 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.019 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -103.51 113.05 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.835 0.35 . . . . 0.0 110.229 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.1 mt -132.05 152.94 50.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.105 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 87' ' ' SER . 99.6 mttt -122.86 166.09 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.86 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' A' ' 88' ' ' ALA . 59.9 t -67.57 111.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.02 -10.26 24.98 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.165 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 86' ' ' THR . 65.2 mm-40 -83.93 141.46 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.529 0.204 . . . . 0.0 110.542 178.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.3 m -113.9 123.18 49.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.27 126.59 52.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.432 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -86.1 99.55 11.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 39.5 mt -88.25 99.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.633 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.6 ttt180 -86.54 123.54 31.85 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.968 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 30.6 m -116.93 126.39 52.88 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -110.92 112.32 24.07 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 115.76 21.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -82.42 118.86 23.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.137 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.585 ' HD3' ' OH ' ' A' ' 47' ' ' TYR . 20.9 mtm180 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.106 0.479 . . . . 0.0 111.881 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -83.53 107.08 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.978 0.418 . . . . 0.0 110.836 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.857 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 67.5 m-85 -98.45 145.12 27.07 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 173.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.645 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 60.5 m-85 -121.67 135.27 54.97 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.652 0.263 . . . . 0.0 111.111 -174.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.86 135.02 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.304 0.573 . . . . 0.0 111.297 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HD2' HD12 ' A' ' 73' ' ' LEU . 2.9 ptm180 -153.18 137.9 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 172.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.3 p90 -111.8 144.43 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.504 -176.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -120.63 144.42 48.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -133.13 103.24 12.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.84 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.483 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.9 Cg_exo -59.55 -47.16 17.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.957 1.772 . . . . 0.0 110.318 173.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.41 122.69 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.988 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.474 ' HA3' ' HB2' ' A' ' 93' ' ' GLN . . . 148.67 174.1 20.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.539 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.5 127.55 4.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 111.248 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.522 ' HA3' ' CE1' ' A' ' 85' ' ' TYR . . . -169.9 165.98 39.27 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.822 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.442 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 33.7 m -103.81 111.6 24.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' ' 83' ' ' LEU . 42.6 tp -106.43 119.2 38.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.391 . . . . 0.0 110.416 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.63 145.38 43.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.181 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.4 ttp -83.91 157.78 21.83 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.454 ' HB2' ' H ' ' A' ' 82' ' ' ARG . 22.7 t -47.37 -31.61 4.15 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.77 -12.02 59.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.866 0.365 . . . . 0.0 111.0 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.57 -7.75 30.13 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -66.68 119.85 12.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.899 0.381 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.7 t -73.49 121.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.443 HD12 ' HG ' ' A' ' 60' ' ' LEU . 70.8 mt -89.68 117.58 28.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.347 -175.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.26 147.23 40.02 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.011 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 -5.36 13.59 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.925 2.416 . . . . 0.0 112.26 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -75.06 -29.76 60.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -127.05 173.42 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.628 0.727 . . . . 0.0 112.014 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.516 HD12 ' HD2' ' A' ' 50' ' ' ARG . 6.5 tt -127.41 132.61 50.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.195 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 98.8 m-85 -118.43 150.59 48.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.423 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 7.7 Cg_endo -89.1 132.64 2.31 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.411 2.741 . . . . 0.0 112.963 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.857 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 93.4 mt -80.68 127.68 74.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.317 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.83 -36.52 2.04 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.695 2.263 . . . . 0.0 114.042 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.69 176.94 22.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.236 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 2.9 mp0 -68.26 -37.26 80.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.211 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.0 t -97.81 93.06 6.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 110.42 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 17.5 p90 -112.88 131.61 55.65 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.36 0.6 . . . . 0.0 110.068 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.454 ' H ' ' HB2' ' A' ' 63' ' ' SER . 53.4 mtm-85 -110.47 125.64 53.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 60' ' ' LEU . 80.1 mt -102.19 115.35 30.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -90.0 100.72 13.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.045 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.522 ' CE1' ' HA3' ' A' ' 58' ' ' GLY . 84.6 t80 -99.47 110.36 22.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.004 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.442 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 45.6 m -92.6 113.91 26.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.315 172.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 17.8 m -65.34 135.68 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.909 -175.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -124.74 6.8 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -139.79 168.24 20.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.353 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -125.89 -23.54 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.23 165.72 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -56.34 111.98 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.441 0.463 . . . . 0.0 111.16 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.474 ' HB2' ' HA3' ' A' ' 56' ' ' GLY . 23.3 pt20 -119.36 151.08 39.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.248 0.547 . . . . 0.0 110.945 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.483 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 61.4 m -130.7 116.62 18.29 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.26 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -116.67 107.34 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.329 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 11.5 p-10 -103.44 113.28 26.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.7 0.762 . . . . 0.0 110.523 177.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 40.5 t -94.41 135.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.637 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.531 ' HB3' HD11 ' A' ' 106' ' ' LEU . 27.8 m-85 -104.51 121.16 42.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.68 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.408 ' HE2' HD12 ' A' ' 109' ' ' LEU . 73.0 m-85 -109.87 126.32 53.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.929 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.645 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 9.7 tt0 -122.72 154.63 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -125.4 178.26 5.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.894 0.378 . . . . 0.0 111.031 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.8 m -77.54 -7.66 56.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.621 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.22 -14.31 44.29 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.28 14.8 29.58 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.052 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 15.0 mm-40 -86.42 144.23 27.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 98' ' ' TYR . 31.5 tp -136.53 115.78 12.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.78 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -125.77 124.69 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.984 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 3.3 pt20 -105.3 142.45 35.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.491 . . . . 0.0 110.892 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.408 HD12 ' HE2' ' A' ' 99' ' ' PHE . 89.7 mt -120.54 118.5 30.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.551 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 12.1 m -95.05 116.06 28.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.171 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -109.33 119.66 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 57.7 p -92.65 117.83 30.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -176.359 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 97.8 m-85 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.875 0.369 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 t -150.14 170.54 18.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.392 -176.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.572 HG12 ' HA ' ' A' ' 36' ' ' LEU . 35.1 mt -132.44 133.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.998 0.427 . . . . 0.0 110.787 -175.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.32 150.98 22.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.418 HG22 ' SG ' ' A' ' 34' ' ' CYS . 19.6 p -130.69 157.44 42.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.847 0.356 . . . . 0.0 111.416 -174.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.414 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 65.3 mtt -94.04 124.4 56.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 57.3 Cg_exo -53.35 135.98 61.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.383 2.722 . . . . 0.0 113.649 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG11 HG12 ' A' ' 32' ' ' ILE . 35.5 m -95.63 165.86 15.77 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.106 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -61.18 151.95 75.26 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.762 2.308 . . . . 0.0 111.583 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -97.13 -17.26 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.749 -176.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -137.44 118.71 14.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD23 ' HG3' ' A' ' 28' ' ' GLU . 5.1 mp -125.08 169.12 12.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.35 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -90.94 161.04 15.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.031 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.29 112.69 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.72 -8.99 25.83 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' HG3' HD23 ' A' ' 24' ' ' LEU . 12.4 tp10 -82.51 143.94 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -124.95 121.43 34.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.034 0.445 . . . . 0.0 110.902 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.504 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -96.1 126.85 41.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.404 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.93 101.98 14.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 0.0 110.623 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.534 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 23.4 mt -83.52 98.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -83.12 120.23 25.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 17' ' ' THR . 31.9 m -117.65 134.47 54.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.946 -172.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.473 ' OE1' HG23 ' A' ' 80' ' ' THR . 15.2 mm100 -122.86 121.5 36.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HA ' HG12 ' A' ' 15' ' ' ILE . 1.1 tp -82.36 138.57 34.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.429 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 83.6 t60 -90.66 102.96 15.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.865 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 23.3 tpp180 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.51 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.37 142.1 28.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.438 0.637 . . . . 0.0 111.858 -169.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.693 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 25.5 m-85 -98.63 128.21 44.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.303 -177.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.521 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 97.6 m-85 -119.64 123.44 43.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.97 0.414 . . . . 0.0 110.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.8 tt -109.74 139.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.66 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.533 ' HB2' HD23 ' A' ' 73' ' ' LEU . 15.8 ttp180 -154.46 134.71 13.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.301 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -108.19 150.42 27.28 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.97 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -105.15 132.45 51.36 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' NE2' ' HB3' ' A' ' 57' ' ' ALA . 5.8 tp60 -117.89 83.03 17.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.68 -175.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -83.82 -16.17 6.67 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.588 2.192 . . . . 0.0 111.92 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -118.27 160.62 21.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.417 -171.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.37 77.49 2.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.154 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HA ' ' HG2' ' A' ' 93' ' ' GLN . . . -106.15 -159.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.463 0.173 . . . . 0.0 111.036 -178.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.73 -146.59 18.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.488 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 m -105.08 141.07 37.3 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.235 0.214 . . . . 0.0 111.068 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -117.12 117.88 30.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -113.67 152.63 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.566 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.404 ' SD ' ' HB ' ' A' ' 66' ' ' THR . 62.1 mtp -86.81 163.65 17.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.992 176.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.452 ' HB2' ' H ' ' A' ' 82' ' ' ARG . 13.2 t -53.6 -28.04 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 110.999 175.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.97 -14.21 61.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.46 6.98 69.97 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -172.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.404 ' HB ' ' SD ' ' A' ' 62' ' ' MET . 63.5 m -80.76 130.49 35.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.573 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.1 t -85.07 127.64 39.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 0.0 110.176 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.5 mt -86.43 142.72 28.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.569 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -113.35 133.53 22.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.21 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.02 62.3 8.48 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.695 2.263 . . . . 0.0 113.196 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -155.59 -51.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.169 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.17 175.44 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.533 HD23 ' HB2' ' A' ' 50' ' ' ARG . 93.2 mt -101.68 129.35 47.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 111.629 -174.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 37.7 m-85 -105.76 132.59 20.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.573 176.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 14.1 Cg_exo -69.98 129.84 18.06 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 111.929 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.693 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 78.7 mt -71.91 143.91 87.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.294 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.87 -15.42 50.31 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.849 2.366 . . . . 0.0 112.293 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.49 -147.36 9.82 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.087 -0.578 . . . . 0.0 111.785 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -121.17 -5.57 9.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.523 . . . . 0.0 110.526 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.473 HG23 ' OE1' ' A' ' 35' ' ' GLN . 51.7 m -120.96 103.99 9.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 169.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -152.99 172.73 16.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 111.632 -173.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' H ' ' HB2' ' A' ' 63' ' ' SER . 0.1 OUTLIER -123.07 145.83 48.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.024 177.123 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.534 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.8 mt -114.55 118.4 33.64 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -94.8 104.58 16.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.119 0.485 . . . . 0.0 110.971 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.476 ' OH ' ' HB1' ' A' ' 57' ' ' ALA . 88.5 t80 -94.11 112.19 23.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.2 m -92.11 111.62 23.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.092 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.6 t -66.88 109.35 2.89 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.65 11.28 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.948 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -122.24 142.29 50.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.176 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 p -86.82 -21.47 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.642 0.734 . . . . 0.0 109.571 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -86.37 172.57 10.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.912 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.59 144.19 52.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' A' ' 57' ' ' ALA . 47.3 mt-30 -121.2 123.77 43.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.995 0.426 . . . . 0.0 111.149 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 m -122.87 120.27 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.216 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.37 128.07 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.58 0.229 . . . . 0.0 111.112 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -102.43 112.36 25.05 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.389 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.37 123.31 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.732 0.301 . . . . 0.0 110.772 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.41 127.52 54.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.417 ' HE2' HD12 ' A' ' 109' ' ' LEU . 98.2 m-85 -110.24 116.73 32.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -113.35 130.71 56.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.07 0.462 . . . . 0.0 111.101 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.599 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 12.1 t70 -109.28 143.78 38.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.318 177.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 p -74.44 -4.34 36.03 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -79.51 -9.87 59.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.519 0.676 . . . . 0.0 109.742 174.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.66 23.95 6.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.186 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 16.1 mm100 -103.82 140.8 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.763 0.316 . . . . 0.0 110.444 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -140.86 115.93 9.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -113.75 133.53 55.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.82 125.02 48.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.018 0.437 . . . . 0.0 110.638 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.417 HD12 ' HE2' ' A' ' 99' ' ' PHE . 70.6 mt -117.9 111.52 19.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.093 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 m -91.75 119.52 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.308 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.18 117.95 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.929 0.395 . . . . 0.0 110.072 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 m -124.45 118.5 26.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.447 -178.511 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.499 ' HD1' ' HA ' ' A' ' 38' ' ' ARG . 92.6 m-85 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.9 t -116.72 135.26 53.91 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.7 mt -111.83 125.98 69.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 110.628 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.05 135.85 44.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.92 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.1 p -125.04 138.47 54.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.956 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 33' ' ' ARG . 1.3 mpt? -77.75 134.3 65.24 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 177.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 35.3 Cg_exo -60.82 159.87 27.34 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.267 2.645 . . . . 0.0 113.105 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.417 HG21 ' HE1' ' A' ' 113' ' ' PHE . 22.1 m -115.98 165.55 14.45 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.909 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.77 147.17 74.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.603 2.202 . . . . 0.0 112.096 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -80.08 2.18 24.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.636 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -141.93 123.27 14.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.0 mt -136.9 115.7 12.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.375 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -109.49 -179.87 3.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.522 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' ' 89' ' ' SER . 23.3 t -64.8 121.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.05 0.452 . . . . 0.0 111.177 -175.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.15 -3.69 51.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.536 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.98 145.18 24.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.785 0.326 . . . . 0.0 110.401 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -117.1 115.74 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.57 116.51 28.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.192 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -87.22 100.62 12.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.208 0.528 . . . . 0.0 110.153 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -95.04 99.76 9.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.488 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HB2' ' SD ' ' A' ' 18' ' ' MET . 67.4 mtt180 -82.01 124.19 29.57 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.741 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 17' ' ' THR . 39.2 m -117.79 126.38 52.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.33 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 33.3 tt0 -131.17 113.53 13.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.178 0.513 . . . . 0.0 111.057 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -83.58 116.71 22.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -84.83 109.7 18.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.987 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.504 ' HG3' ' CG ' ' A' ' 79' ' ' GLU . 5.8 mmm180 . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.998 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.695 0.283 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -82.5 117.12 22.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.339 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB2' HD12 ' A' ' 76' ' ' LEU . 33.5 m-85 -98.16 134.57 41.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 73' ' ' LEU . 94.6 m-85 -115.4 140.63 48.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -177.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.447 HG12 ' CE2' ' A' ' 51' ' ' TYR . 14.5 tt -115.92 129.77 71.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' NH1' HE22 ' A' ' 100' ' ' GLN . 44.5 ttp180 -135.88 134.28 38.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.676 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -127.47 105.76 8.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.826 0.346 . . . . 0.0 110.647 -169.325 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.6 116.02 28.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -104.43 103.49 39.65 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.1 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.95 -46.46 19.34 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.595 2.197 . . . . 0.0 111.587 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -154.82 120.79 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.829 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.24 169.79 30.31 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.674 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.16 98.29 3.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.07 173.23 29.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.74 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.7 m -125.16 113.35 17.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.839 0.352 . . . . 0.0 110.247 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.812 ' HG ' HD12 ' A' ' 68' ' ' LEU . 50.1 tp -104.44 119.68 39.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 0.0 110.365 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 47.9 mtmt -124.61 149.77 46.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.412 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.6 ttm -85.0 153.27 22.86 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.574 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 5.5 p -53.27 -28.1 26.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 112.033 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.65 19.12 5.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.94 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.37 -1.04 88.64 Favored Glycine 0 C--N 1.334 0.457 0 CA-C-N 115.679 -0.692 . . . . 0.0 113.502 172.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 m -74.45 116.84 15.59 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.716 -0.284 . . . . 0.0 110.916 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.6 t -78.07 118.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 109.806 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.812 HD12 ' HG ' ' A' ' 60' ' ' LEU . 56.1 mt -92.07 117.86 30.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.702 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 94.6 mt -105.35 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.249 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.428 ' HA ' ' HD1' ' A' ' 51' ' ' TYR . 71.5 Cg_exo -52.47 -40.71 71.06 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 123.435 2.757 . . . . 0.0 113.952 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -92.26 16.05 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.382 0.61 . . . . 0.0 110.719 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.75 173.26 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.94 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 48' ' ' PHE . 48.5 tp -137.53 122.61 19.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.668 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HD2' ' OH ' ' A' ' 51' ' ' TYR . 82.7 m-85 -120.37 141.25 31.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.669 0.271 . . . . 0.0 111.247 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.37 141.27 15.86 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.615 2.21 . . . . 0.0 111.38 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -74.93 144.54 79.79 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.55 -35.96 35.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.03 2.487 . . . . 0.0 112.314 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.38 -155.69 13.78 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.501 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.504 ' CG ' ' HG3' ' A' ' 38' ' ' ARG . 2.2 mp0 -64.32 -49.33 72.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.727 0.298 . . . . 0.0 111.525 -178.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.445 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 12.9 t -112.31 137.71 50.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 0.0 110.887 -175.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -154.98 169.3 24.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.971 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.574 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 0.2 OUTLIER -128.2 132.02 48.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -176.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.542 ' HB3' HD11 ' A' ' 60' ' ' LEU . 81.6 mt -109.11 122.22 46.82 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -97.62 103.21 15.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -88.19 101.94 14.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.751 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 m -89.08 110.61 21.31 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.702 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 m -73.39 108.15 6.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.489 . . . . 0.0 110.751 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.63 6.4 47.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.484 0.659 . . . . 0.0 109.77 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.418 ' HA ' HG22 ' A' ' 26' ' ' VAL . 45.8 t -155.51 159.32 39.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.24 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.6 t -118.57 9.67 12.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.329 0.585 . . . . 0.0 109.771 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -83.09 -167.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.165 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -73.29 115.43 12.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.653 ' HG3' ' HB2' ' A' ' 113' ' ' PHE . 9.7 pt20 -131.72 115.44 16.02 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.455 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 m -114.0 125.03 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.778 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -128.81 116.53 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.406 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.8 111.25 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.21 112.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.157 0.503 . . . . 0.0 110.441 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -101.52 129.58 47.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.402 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.84 112.61 24.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 9.4 pt20 -109.02 128.95 55.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.576 0.703 . . . . 0.0 110.94 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 11.2 t70 -83.45 168.38 16.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.76 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 t -74.59 -18.38 60.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -79.31 -14.41 59.02 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.743 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.68 4.65 52.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.69 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.409 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 0.7 OUTLIER -69.25 122.64 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.72 116.49 29.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -175.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -110.53 146.31 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 136.4 45.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.929 0.395 . . . . 0.0 111.465 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.8 mt -128.87 112.52 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 m -92.49 119.01 31.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.975 0.417 . . . . 0.0 111.066 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.68 118.82 37.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.902 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 m -122.49 111.87 17.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.85 0.357 . . . . 0.0 110.491 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.653 ' HB2' ' HG3' ' A' ' 93' ' ' GLN . 76.9 m-85 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 -177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 26.2 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -99.22 132.53 44.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.766 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -110.93 111.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 0.0 110.371 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -101.91 116.16 32.1 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.745 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.3 p -92.36 136.77 32.93 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.401 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.9 mtt -68.98 135.62 89.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.9 107.77 0.17 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.251 2.634 . . . . 0.0 113.185 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.37 155.11 76.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.915 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.78 131.26 28.63 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.705 2.27 . . . . 0.0 111.899 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -85.32 6.55 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.61 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -144.08 124.96 14.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.361 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 28' ' ' GLU . 6.9 tp -146.82 129.83 16.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.648 0.261 . . . . 0.0 110.522 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HB2' ' HG3' ' A' ' 28' ' ' GLU . 67.5 mttm -78.63 167.35 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.291 0.567 . . . . 0.0 111.466 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' ' 88' ' ' ALA . 47.4 t -68.44 118.1 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.041 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.48 -19.52 28.86 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.563 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.616 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . 25.8 mt-10 -73.12 139.84 46.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.4 . . . . 0.0 110.257 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -116.99 117.52 29.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.524 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.9 126.2 52.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.379 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -85.56 103.41 14.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.462 0.648 . . . . 0.0 110.573 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.68 99.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.517 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -83.36 116.31 22.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.325 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.66 131.06 55.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.099 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -111.23 111.05 21.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.354 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 10.6 tt -97.07 121.43 38.94 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -85.26 101.01 12.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ttp180 . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.517 HG23 ' OD2' ' A' ' 101' ' ' ASP . 25.0 m . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 121.165 0.507 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -104.54 152.97 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 12.4 m-85 -98.9 135.87 39.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.052 -171.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -123.74 142.72 50.82 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.875 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.711 HD11 ' HE1' ' A' ' 51' ' ' TYR . 17.6 tt -109.45 129.39 64.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.441 0.639 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.81 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 23.9 tpt180 -125.33 140.66 52.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.322 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.711 ' HE1' HD11 ' A' ' 49' ' ' ILE . 3.5 m-85 -131.09 148.76 52.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.827 0.346 . . . . 0.0 111.16 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -141.14 125.8 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.188 173.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -121.32 102.41 42.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.092 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.684 ' HD2' ' O ' ' A' ' 94' ' ' THR . 50.2 Cg_exo -54.69 -34.4 83.72 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.889 2.392 . . . . 0.0 111.809 173.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.717 ' HB3' ' HG3' ' A' ' 93' ' ' GLN . 31.3 t70 -86.18 -81.56 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.86 -4.05 32.09 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.869 170.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.22 97.7 8.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 110.879 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.96 172.01 33.72 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.468 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -124.69 121.86 35.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.7 tp -123.17 123.38 40.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.692 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -128.27 146.32 50.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.113 0.483 . . . . 0.0 110.831 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.8 ttm -75.17 162.32 28.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.238 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.3 t -51.07 -31.45 18.94 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -87.97 6.35 36.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.679 0.275 . . . . 0.0 111.71 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.26 -16.82 60.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.803 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -58.68 115.28 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.658 0.266 . . . . 0.0 111.017 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.42 133.18 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.794 0.33 . . . . 0.0 110.184 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.479 HD11 HD22 ' A' ' 83' ' ' LEU . 79.3 mt -101.5 101.9 12.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.592 -177.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 91.5 mt -105.14 142.9 25.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.983 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 6.2 Cg_exo -73.92 26.94 0.33 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.264 2.643 . . . . 0.0 113.467 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -111.24 -50.96 2.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -101.1 175.07 5.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.314 0.578 . . . . 0.0 111.74 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.3 tp -111.97 134.3 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.78 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 88.8 m-85 -123.48 144.75 44.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.649 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.4 Cg_exo -80.29 144.22 16.18 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.983 2.455 . . . . 0.0 112.509 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.618 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.8 mt -86.02 147.83 46.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.993 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.75 -51.8 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.111 2.541 . . . . 0.0 112.855 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.48 -141.14 3.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.443 ' HA ' ' HB3' ' A' ' 36' ' ' LEU . 3.3 mp0 -72.63 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.963 0.411 . . . . 0.0 111.357 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -105.98 125.2 50.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.653 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -146.74 156.95 43.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.557 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 82' ' ' ARG . 13.9 ptp180 -117.65 140.89 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.662 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 68' ' ' LEU . 52.0 mt -120.41 119.09 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.653 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -87.42 109.12 19.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 0.0 111.268 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 87' ' ' SER . 68.0 t80 -99.98 105.93 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.12 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.2 m -94.05 107.93 19.81 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.333 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.578 ' HB2' HD23 ' A' ' 24' ' ' LEU . 18.6 t -79.66 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 -176.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.593 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -120.53 13.01 11.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.435 0.636 . . . . 0.0 109.393 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.518 ' HB2' HE21 ' A' ' 93' ' ' GLN . 6.7 t -87.0 143.85 27.16 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.007 -177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -89.6 -13.76 36.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.427 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -147.56 -160.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -59.42 114.01 2.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.152 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.717 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 7.3 tt0 -106.45 123.2 47.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.405 174.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.684 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 14.0 m -88.61 120.37 29.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.149 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.51 106.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.721 0.296 . . . . 0.0 110.47 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.41 111.2 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.185 0.517 . . . . 0.0 110.16 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.563 HG22 ' CE2' ' A' ' 51' ' ' TYR . 18.5 t -100.86 134.49 40.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.209 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.81 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 78.6 m-85 -123.88 119.78 30.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.187 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -109.27 112.39 24.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 3.2 pt20 -121.01 161.68 21.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.833 0.349 . . . . 0.0 110.769 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.517 ' OD2' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -141.91 162.42 35.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 179.374 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.2 t -71.54 -18.86 62.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.663 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.443 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 92.1 t80 -79.24 -24.29 43.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.999 0.428 . . . . 0.0 110.304 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.41 13.9 5.09 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.346 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 5.7 tp-100 -80.2 134.92 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.016 0.408 . . . . 0.0 110.055 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 100' ' ' GLN . 65.8 tp -141.97 116.43 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.051 0.453 . . . . 0.0 110.114 176.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -108.77 115.89 30.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.498 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.98 110.92 23.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.1 mt -119.18 125.34 48.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.951 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.2 m -112.71 119.6 38.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.0 140.53 45.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.349 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 t -113.6 108.94 17.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.123 0.487 . . . . 0.0 110.537 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 C--N 1.321 -0.651 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.614 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.533 ' HD1' ' HG2' ' A' ' 105' ' ' GLN . 76.1 m-85 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.488 ' HB3' ' CG ' ' A' ' 37' ' ' HIS . 12.6 t -141.03 110.1 6.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.943 0.401 . . . . 0.0 110.24 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.1 mp -108.43 106.23 20.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -101.22 155.17 18.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.644 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 p -118.79 162.49 18.38 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.931 0.396 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ptm -86.38 141.28 34.48 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -45.72 115.3 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.17 2.58 . . . . 0.0 112.905 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.15 151.77 52.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 167.51 24.13 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.651 2.234 . . . . 0.0 111.598 175.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -108.17 9.58 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.649 0.261 . . . . 0.0 111.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -164.11 158.08 18.87 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.696 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 30' ' ' ALA . 95.1 mt -142.73 169.11 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.451 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -123.99 165.51 17.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.766 0.317 . . . . 0.0 110.797 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.89 112.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.39 0.31 58.21 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.963 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 86' ' ' THR . 9.0 tp10 -84.97 141.43 30.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.2 m -117.44 114.63 23.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.9 0.381 . . . . 0.0 110.679 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -82.78 125.19 31.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.353 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -94.3 101.51 13.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.779 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -104.27 99.23 8.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -92.33 126.59 37.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.456 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.5 m -114.66 141.31 47.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.186 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.61 112.89 21.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 79' ' ' GLU . 5.0 tp -83.59 120.3 25.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.931 176.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.488 ' CG ' ' HB3' ' A' ' 14' ' ' SER . 18.3 m170 -78.06 103.44 7.99 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 109.912 175.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.327 -178.573 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 120.97 0.414 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -82.34 124.38 29.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -174.062 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.29 143.57 28.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HB3' HD11 ' A' ' 73' ' ' LEU . 94.1 m-85 -124.47 153.96 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 0.0 111.831 -173.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 98' ' ' TYR . 13.8 tt -134.09 139.16 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.225 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -139.64 161.86 36.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CE2' HD13 ' A' ' 68' ' ' LEU . 81.8 m-85 -134.22 165.45 25.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.444 0.64 . . . . 0.0 112.304 -174.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.453 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 71.7 t80 -154.35 110.72 3.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 108.45 169.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 19.7 pt20 -138.04 119.84 10.68 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 121.083 0.468 . . . . 0.0 111.147 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 16.7 Cg_exo -71.23 -22.14 25.99 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 123.459 2.772 . . . . 0.0 112.728 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.553 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 2.9 p-10 -68.9 124.11 22.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.36 0.6 . . . . 0.0 110.471 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.23 -22.89 9.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.325 -175.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . -95.38 87.19 4.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.373 0.587 . . . . 0.0 110.673 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.87 179.84 43.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.604 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -149.24 134.6 18.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.189 0.494 . . . . 0.0 110.609 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.6 tp -121.38 122.67 40.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.403 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -121.08 157.45 30.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.021 0.439 . . . . 0.0 110.724 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.471 ' HG2' ' N ' ' A' ' 63' ' ' SER . 43.7 ttm -90.32 168.89 11.55 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 171.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.82 ' HB3' ' HG2' ' A' ' 82' ' ' ARG . 2.7 p -54.91 -23.31 18.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.23 -19.75 56.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.068 0.461 . . . . 0.0 111.194 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.45 -6.31 52.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.393 -174.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -61.72 121.14 12.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.976 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.44 117.05 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 51' ' ' TYR . 39.0 mt -86.85 108.42 18.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.83 -173.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.9 mt -105.46 130.06 23.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.485 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.7 92.56 0.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.38 2.053 . . . . 0.0 112.015 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.49 -60.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.345 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.7 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.759 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 48' ' ' PHE . 43.3 tp -111.77 120.28 41.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -172.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -101.07 150.83 37.41 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.405 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -88.03 167.63 6.8 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.772 2.315 . . . . 0.0 112.586 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.3 mt -98.92 136.0 20.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.418 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -81.38 -0.15 10.31 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.753 2.302 . . . . 0.0 113.066 -177.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.01 -161.62 31.21 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.198 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.585 ' HG3' HD23 ' A' ' 36' ' ' LEU . 3.7 mp0 -88.81 -44.34 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.976 0.417 . . . . 0.0 111.289 -177.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -93.31 46.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -82.04 167.65 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.123 0.487 . . . . 0.0 111.132 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.82 ' HG2' ' HB3' ' A' ' 63' ' ' SER . 8.8 ptp85 -144.43 159.0 43.47 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -126.8 127.69 45.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.95 111.71 24.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.617 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.61 113.23 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.955 0.407 . . . . 0.0 110.84 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 23.0 m -97.55 118.67 34.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.837 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -87.81 138.68 31.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.382 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.64 10.22 13.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 111.025 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 34.0 m -117.02 177.44 4.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -67.52 -46.15 73.68 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.075 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -163.86 75.98 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 164.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.553 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 21.3 tp60 -111.02 104.1 12.63 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.353 175.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.506 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 52.1 tt0 -150.21 120.96 7.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.116 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -141.34 103.3 4.39 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.3 t -127.33 120.2 54.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.497 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 52' ' ' PHE . 13.6 m-20 -87.5 110.84 20.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 169.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.05 122.26 52.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.0 0.429 . . . . 0.0 110.394 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 34.2 m-85 -107.73 113.9 27.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.053 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HE2' HD12 ' A' ' 109' ' ' LEU . 87.8 m-85 -108.66 111.99 24.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.529 ' HB3' HD13 ' A' ' 106' ' ' LEU . 29.0 pt20 -125.27 140.88 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.969 0.89 . . . . 0.0 112.082 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.822 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -94.64 158.43 15.53 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.729 174.091 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.2 p -57.52 -27.07 62.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -93.37 -2.99 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.153 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.56 24.16 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.544 174.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.822 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 8.1 tp-100 -74.52 104.39 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 100' ' ' GLN . 55.5 tp -116.87 124.43 49.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.881 0.372 . . . . 0.0 111.661 -174.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -110.82 110.07 20.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.521 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.96 117.09 29.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.42 HD12 ' HE2' ' A' ' 99' ' ' PHE . 38.4 mt -111.99 116.12 30.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.041 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.2 m -99.89 115.2 29.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.458 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.552 ' HB3' ' HE1' ' A' ' 113' ' ' PHE . 86.2 m-85 -114.5 118.11 32.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 6.5 m -124.09 112.12 16.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.552 ' HE1' ' HB3' ' A' ' 111' ' ' PHE . 1.6 m-85 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.946 -176.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.204 0.526 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.9 m -92.02 121.41 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.187 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.11 113.67 44.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.575 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -118.74 143.81 46.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.387 0.613 . . . . 0.0 111.272 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.3 p -114.94 141.58 47.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.5 mmt -72.95 154.41 90.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.577 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 147.64 46.15 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.211 2.608 . . . . 0.0 112.976 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -124.57 158.72 60.94 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -57.08 133.91 60.91 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.296 1.997 . . . . 0.0 111.306 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.32 -26.77 67.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.463 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -143.66 146.61 33.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 87' ' ' SER . 86.3 mt -121.38 163.76 18.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.356 -176.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -124.22 176.36 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.653 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.22 115.85 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.07 -16.33 30.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.76 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -71.78 124.96 25.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.421 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -99.82 105.66 17.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.852 0.358 . . . . 0.0 110.221 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.83 106.08 17.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.808 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.03 115.44 23.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 0.0 110.268 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 44.7 mt -103.09 100.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.382 176.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.1 ttt180 -69.0 114.26 7.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.62 127.38 53.6 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.34 113.03 13.27 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.225 0.536 . . . . 0.0 110.53 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -91.21 120.75 32.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.687 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -79.25 99.31 7.0 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.706 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.041 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.265 0.555 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -99.77 128.28 45.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.126 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 69.0 m-85 -107.37 127.84 53.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -174.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -119.57 122.42 41.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.747 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.6 tt -107.77 128.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 0.0 110.637 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -113.42 157.92 21.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.567 ' OH ' HD22 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -134.13 145.09 48.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.103 -174.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -142.24 126.77 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.838 174.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -126.67 107.79 22.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' O ' ' A' ' 94' ' ' THR . 27.5 Cg_exo -62.77 -39.6 41.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 111.21 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -83.78 -68.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.391 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.0 8.66 64.64 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-N 115.277 -0.874 . . . . 0.0 114.003 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.92 87.23 5.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.503 0.652 . . . . 0.0 110.732 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.49 150.59 6.31 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.558 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 26.7 m -98.31 113.97 26.1 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.607 ' HG ' HD12 ' A' ' 68' ' ' LEU . 52.0 tp -102.02 121.36 42.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.385 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HG2' HG22 ' A' ' 67' ' ' VAL . 47.4 mtmt -131.6 157.34 43.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.128 0.49 . . . . 0.0 111.792 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.411 ' HG2' ' H ' ' A' ' 63' ' ' SER . 43.2 ttm -95.65 166.74 11.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.169 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.458 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -57.88 -30.25 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.62 7.75 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.622 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.79 -7.38 82.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.246 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -61.71 117.08 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 122.357 0.263 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.475 HG22 ' HG2' ' A' ' 61' ' ' LYS . 64.2 t -78.28 124.35 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.607 HD12 ' HG ' ' A' ' 60' ' ' LEU . 55.6 mt -91.15 104.57 17.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.197 -172.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -91.31 129.44 43.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.397 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.489 ' O ' ' HB3' ' A' ' 71' ' ' ASN . 32.1 Cg_exo -60.31 177.02 0.64 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.208 2.605 . . . . 0.0 113.015 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 70' ' ' PRO . 20.6 t-20 75.42 -54.57 0.64 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.483 0.713 . . . . 0.0 111.159 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.51 161.33 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.0 pt? -129.25 118.82 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.517 . . . . 0.0 110.329 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HE2' ' HA ' ' A' ' 68' ' ' LEU . 13.2 m-30 -94.73 151.4 39.07 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.719 -174.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 43.9 Cg_endo -70.31 140.19 40.05 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.356 2.037 . . . . 0.0 111.652 174.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.1 mt -84.36 143.28 41.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.426 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.36 -40.49 24.69 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.766 2.311 . . . . 0.0 112.252 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.92 -147.68 9.17 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.713 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -71.06 -57.75 4.23 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.804 0.442 . . . . 0.0 111.403 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.0 p -100.6 117.51 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.106 0.479 . . . . 0.0 111.789 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -143.57 160.31 40.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.114 175.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.462 HH11 ' HD3' ' A' ' 82' ' ' ARG . 6.8 mmm180 -111.69 125.54 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -175.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.402 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 88.6 mt -101.14 113.95 27.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -101.15 105.43 16.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -97.93 110.7 23.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.361 0.6 . . . . 0.0 110.075 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 8.9 m -86.7 101.42 13.27 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.19 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.518 ' HB2' HD13 ' A' ' 24' ' ' LEU . 22.9 t -69.86 127.06 31.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.745 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.84 15.16 16.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.248 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 m -134.44 146.95 50.3 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.665 -175.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -110.44 -5.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.879 0.847 . . . . 0.0 109.044 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -88.26 -165.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.33 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -66.72 113.87 5.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.989 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -120.63 111.74 18.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.427 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 32.2 m -107.45 127.1 53.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.0 t -123.25 117.09 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.045 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -98.19 116.35 30.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.175 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -108.44 122.46 62.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -108.93 124.85 51.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.842 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.84 114.45 28.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -107.63 119.24 38.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 4.9 t70 -103.61 164.1 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.782 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.6 t -73.81 -16.76 61.14 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.402 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 62.3 m-85 -84.2 6.0 24.3 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.032 -0.418 . . . . 0.0 110.96 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.54 0.39 69.82 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.879 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.515 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 6.2 tp-100 -73.42 126.38 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 0.0 110.639 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.1 tp -126.36 115.27 19.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -110.15 111.33 22.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.357 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -99.43 112.36 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.275 0.559 . . . . 0.0 110.293 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.8 mt -101.48 113.08 25.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.451 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -97.92 113.99 25.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.973 0.416 . . . . 0.0 110.519 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -108.95 118.55 37.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -120.01 115.51 23.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.233 -177.392 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.5 m -128.62 130.91 47.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.066 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.659 HG13 HE22 ' A' ' 107' ' ' GLN . 53.5 mt -112.88 121.07 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.534 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.45 126.64 37.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.384 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.592 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 19.3 p -103.59 125.35 50.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.359 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.467 ' CG ' ' HB3' ' A' ' 33' ' ' ARG . 23.8 mmt -59.6 145.06 83.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.121 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -46.87 116.74 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.711 2.94 . . . . 0.0 113.098 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 HG12 ' A' ' 32' ' ' ILE . 31.7 m -80.62 144.16 56.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.6 140.33 68.05 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.808 2.339 . . . . 0.0 112.278 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -91.22 -17.09 26.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -119.45 115.91 25.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.832 0.348 . . . . 0.0 110.141 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -122.49 145.35 48.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.5 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HA ' HG22 ' A' ' 90' ' ' THR . 5.6 mptt -116.14 167.87 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.4 116.69 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.66 -0.53 59.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.688 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.02 145.68 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m -116.66 114.51 24.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.547 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 103.06 15.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.944 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.9 100.27 4.77 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 20' ' ' VAL . 39.0 mt -91.52 98.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.073 176.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 18' ' ' MET . 23.9 ttt180 -83.4 114.19 21.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.478 ' SG ' HG22 ' A' ' 17' ' ' THR . 36.6 m -106.98 127.1 53.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.468 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.743 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 33.7 tt0 -124.58 112.4 16.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.175 0.512 . . . . 0.0 110.843 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.6 tt -81.44 120.08 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.213 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -90.78 100.82 13.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.768 ' HE ' ' HG2' ' A' ' 79' ' ' GLU . 13.7 ptt180 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.645 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.405 HG23 ' HB2' ' A' ' 102' ' ' SER . 95.4 m . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 121.249 0.547 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.66 132.62 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.84 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -101.57 134.18 45.1 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -115.55 131.84 56.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.121 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -106.28 128.19 60.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 0.0 110.998 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -123.28 151.58 42.23 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -144.93 125.5 14.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.971 -172.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -115.3 117.82 31.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.903 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.635 HE21 HG22 ' A' ' 95' ' ' VAL . 36.2 tt0 -119.46 90.73 43.16 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.39 -13.12 8.81 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.766 2.311 . . . . 0.0 112.202 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 8.6 t70 -143.47 134.73 25.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.545 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.89 179.09 33.32 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.041 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.27 113.78 5.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.869 0.366 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.68 134.75 3.5 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.199 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.8 m -86.95 112.08 21.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.903 0.383 . . . . 0.0 110.39 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.595 ' HG ' HD12 ' A' ' 68' ' ' LEU . 57.3 tp -89.93 133.68 34.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.93 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HE2' HG22 ' A' ' 67' ' ' VAL . 99.6 mttt -122.62 153.97 38.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.016 0.436 . . . . 0.0 110.789 177.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.8 ttm -88.71 159.32 17.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 4.5 p -57.57 -20.37 31.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.59 -22.52 50.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.021 0.438 . . . . 0.0 110.938 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.28 -7.47 24.89 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -60.61 118.92 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.313 -0.443 . . . . 0.0 111.011 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.416 HG22 ' HE2' ' A' ' 61' ' ' LYS . 87.6 t -80.22 125.17 38.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 178.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 70.3 mt -98.16 115.98 29.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.716 -174.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 92.8 mt -108.9 130.18 23.04 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.117 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 23.9 Cg_exo -62.85 86.81 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.045 2.497 . . . . 0.0 113.311 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -162.71 -52.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.15 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -115.41 -170.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.097 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.34 147.5 52.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -117.98 152.66 50.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.203 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.94 141.21 21.02 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.725 2.283 . . . . 0.0 112.171 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.73 123.06 66.09 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.926 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.72 16.5 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.86 2.373 . . . . 0.0 112.688 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.21 -175.84 47.18 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.768 ' HG2' ' HE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -101.93 -37.34 8.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.717 0.294 . . . . 0.0 110.72 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.743 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 5.6 t -102.12 106.96 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.425 0.631 . . . . 0.0 109.798 174.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -140.22 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.217 -173.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 38.1 mtt85 -113.49 138.68 49.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.303 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' A' ' 60' ' ' LEU . 86.8 mt -115.71 119.96 37.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 171.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -97.17 99.84 11.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.998 0.428 . . . . 0.0 110.718 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -92.55 104.51 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.488 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -85.17 109.52 18.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.123 0.487 . . . . 0.0 109.745 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -79.38 120.1 23.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.374 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.97 6.87 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.562 0.696 . . . . 0.0 109.135 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -133.37 144.49 49.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 25' ' ' LYS . 22.2 p -95.62 -18.94 20.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.251 0.548 . . . . 0.0 111.029 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.27 -164.49 1.19 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.221 -173.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -63.39 129.8 41.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.258 0.551 . . . . 0.0 110.871 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -119.95 121.26 38.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.83 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 55' ' ' ASP . 30.7 m -102.87 106.36 16.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.916 0.388 . . . . 0.0 111.255 -174.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.635 HG22 HE21 ' A' ' 53' ' ' GLN . 36.1 t -119.4 110.3 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.034 178.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -95.25 111.32 23.19 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.53 138.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.36 0.6 . . . . 0.0 111.462 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.513 ' HB3' HD11 ' A' ' 106' ' ' LEU . 37.9 m-85 -119.7 123.69 44.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.922 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -108.71 112.07 24.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -109.07 138.19 45.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.606 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -107.97 166.22 10.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.697 0.284 . . . . 0.0 110.428 178.342 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.405 ' HB2' HG23 ' A' ' 45' ' ' THR . 50.8 m -70.36 -20.68 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.422 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 87.7 t80 -80.08 -24.59 40.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.24 12.37 8.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.903 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -81.07 139.88 35.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 98' ' ' TYR . 46.1 tp -129.68 119.14 23.02 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.051 0.453 . . . . 0.0 110.364 -178.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.659 HE22 HG13 ' A' ' 15' ' ' ILE . 8.6 tt0 -110.0 109.87 20.6 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.458 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -95.6 125.26 40.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.14 109.5 12.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.025 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.2 m -92.83 119.42 32.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.592 ' HZ ' HG21 ' A' ' 17' ' ' THR . 98.3 m-85 -108.98 119.17 38.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.925 0.393 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -111.99 108.59 17.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.722 -175.585 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.139 0.495 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 p -95.53 121.41 37.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.156 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.5 mt -101.06 110.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -97.65 110.7 23.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.966 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 p -112.45 125.72 54.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.09 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.7 ptm -64.37 141.59 98.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.45 131.84 45.61 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.946 2.431 . . . . 0.0 112.382 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -86.11 160.44 51.97 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.15 -175.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.07 146.94 67.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.788 2.326 . . . . 0.0 111.792 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 3.0 mptp? -88.49 -28.54 20.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.146 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -127.88 136.3 51.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.305 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 mt -144.98 115.05 7.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.475 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -97.6 171.34 8.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.408 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.71 122.03 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.33 -17.42 19.05 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -80.37 154.51 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 0.0 110.56 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.1 m -129.26 117.65 21.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.075 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.89 116.34 28.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.035 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -89.28 99.87 12.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.284 0.564 . . . . 0.0 110.083 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 51.4 mt -93.98 101.82 12.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.995 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.851 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 97.2 mtt180 -80.3 117.64 21.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.084 0.469 . . . . 0.0 110.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.1 129.44 55.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.176 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -124.52 113.08 17.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.117 0.484 . . . . 0.0 111.274 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tt -93.33 119.05 32.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.474 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -102.58 113.23 26.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.518 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.219 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 101' ' ' ASP . 74.6 mmtt -80.5 118.57 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -174.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -98.31 120.86 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.5 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 95.5 m-85 -117.42 135.82 53.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.313 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.0 141.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.244 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -154.58 161.64 41.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 171.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.528 ' HE1' ' HB2' ' A' ' 68' ' ' LEU . 48.3 p90 -146.16 163.19 36.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 176.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -145.21 129.58 17.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.0 pm0 -110.21 101.41 47.81 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.304 0.573 . . . . 0.0 110.298 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' ' 94' ' ' THR . 37.0 Cg_endo -68.78 -37.01 12.61 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.31 2.007 . . . . 0.0 111.957 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.47 120.88 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.332 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.19 176.81 19.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.157 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.11 -167.33 1.74 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.586 0.231 . . . . 0.0 110.542 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.03 173.48 13.52 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.076 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.3 m -140.59 122.21 15.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 83' ' ' LEU . 41.9 tp -100.74 118.96 37.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.042 0.449 . . . . 0.0 110.547 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -107.82 165.31 11.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.935 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.1 ttm -101.17 162.63 12.76 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 6.0 p -61.26 -20.12 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -78.63 -16.6 57.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.106 0.479 . . . . 0.0 110.767 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.12 -5.44 39.04 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -64.75 120.76 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.428 -0.386 . . . . 0.0 111.0 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.1 t -83.65 119.39 32.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 64.5 mt -88.93 140.59 29.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 91.1 mt -119.12 152.96 52.83 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 23.5 Cg_exo -64.94 158.22 52.59 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.859 2.372 . . . . 0.0 112.3 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 53.1 m-80 75.42 -61.17 0.48 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.194 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -75.44 162.5 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 111.415 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 48' ' ' PHE . 70.4 mt -111.43 138.78 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.619 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 71.8 m-85 -124.62 135.77 27.04 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.782 172.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 7.5 Cg_exo -72.1 139.84 33.34 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.781 2.321 . . . . 0.0 112.664 -177.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.15 113.9 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -84.83 6.18 5.86 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.882 2.388 . . . . 0.0 112.364 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -148.84 150.91 23.13 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.84 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.17 -38.32 11.13 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.043 0.449 . . . . 0.0 109.915 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -109.79 86.0 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.63 0.729 . . . . 0.0 109.521 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -118.54 175.82 5.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.392 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.851 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 85.9 mtm180 -124.25 129.93 51.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 60' ' ' LEU . 91.2 mt -101.85 126.39 48.72 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -103.9 97.65 7.61 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.933 0.396 . . . . 0.0 110.955 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -85.2 117.77 24.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.222 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.3 m -90.73 110.96 22.15 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.0 m -71.19 110.25 5.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.66 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.59 13.27 21.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 m -136.63 158.4 44.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.321 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -109.21 -16.59 14.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.446 0.641 . . . . 0.0 109.726 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.76 -177.69 4.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.42 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.33 113.26 3.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.434 0.458 . . . . 0.0 111.852 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -97.72 112.29 24.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.47 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 23.7 m -101.2 105.8 16.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.869 0.366 . . . . 0.0 110.014 178.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.4 t -116.19 119.58 62.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 42.0 t0 -103.11 111.95 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.0 139.68 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -174.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.517 ' HB3' HD11 ' A' ' 106' ' ' LEU . 60.2 m-85 -120.84 122.37 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -111.05 113.07 25.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.55 ' HB3' HD13 ' A' ' 106' ' ' LEU . 11.3 pt20 -120.93 158.15 28.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.941 0.4 . . . . 0.0 111.23 -177.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -116.76 168.2 10.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 178.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 p -65.85 -24.14 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.461 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 86.3 t80 -79.88 -23.96 41.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.368 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.36 11.41 7.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.858 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -75.28 143.1 43.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.55 HD13 ' HB3' ' A' ' 100' ' ' GLN . 57.2 tp -141.8 120.19 12.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 111.605 -175.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -110.23 109.62 20.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.203 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -106.55 119.26 38.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.188 0.518 . . . . 0.0 110.962 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.2 mt -116.3 110.55 18.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.179 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 6.6 m -93.25 118.09 30.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -111.11 124.59 52.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.774 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.3 t -109.91 112.22 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.262 -179.184 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -119.33 126.14 50.72 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.502 HG12 ' HA ' ' A' ' 36' ' ' LEU . 57.2 mt -110.47 110.38 31.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.82 137.15 32.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.835 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.512 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 21.9 p -109.9 136.47 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 -175.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.2 mmt -70.34 143.88 91.28 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.291 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -46.23 118.49 2.47 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.49 2.793 . . . . 0.0 113.459 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.9 m -92.4 154.35 42.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.849 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.82 125.52 14.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.077 1.851 . . . . 0.0 111.187 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -72.01 -35.1 69.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.747 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -111.97 121.27 44.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.117 177.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.27 162.77 20.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.189 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -119.47 161.18 20.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.937 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.57 112.34 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.999 0.428 . . . . 0.0 110.068 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.92 -2.92 33.69 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.773 -176.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.57 141.65 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.294 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 m -112.53 112.59 24.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.48 119.62 30.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.271 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -89.88 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.282 0.563 . . . . 0.0 110.464 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 37.3 mt -87.04 98.79 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.411 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.4 mtt85 -88.17 119.76 28.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.764 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.503 ' SG ' HG22 ' A' ' 17' ' ' THR . 25.0 m -118.2 140.55 49.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.01 -172.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -121.91 113.33 19.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HA ' HG12 ' A' ' 15' ' ' ILE . 7.8 tt -85.47 120.49 26.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.967 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -91.84 101.63 14.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.526 ' HE ' ' HG3' ' A' ' 79' ' ' GLU . 30.8 ptt180 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.122 0.487 . . . . 0.0 110.697 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.648 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -80.94 119.69 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.664 -177.363 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -98.13 123.33 42.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.706 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.474 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 83.8 m-85 -114.77 150.74 34.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.496 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.406 HD12 ' HE1' ' A' ' 99' ' ' PHE . 13.7 tt -130.24 138.62 53.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.321 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HB2' ' HA ' ' A' ' 70' ' ' PRO . 39.9 ptt180 -163.23 146.49 10.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' HE1' ' HB2' ' A' ' 68' ' ' LEU . 53.5 p90 -121.68 146.29 47.16 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.213 -177.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -106.17 124.2 49.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.466 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -114.53 95.93 41.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' A' ' 94' ' ' THR . 22.5 Cg_exo -65.03 -46.66 5.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.014 2.476 . . . . 0.0 112.579 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -150.88 142.05 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.277 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.47 -160.36 23.96 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.545 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.94 91.95 1.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.15 130.98 3.43 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.185 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.7 m -94.75 112.19 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.738 0.304 . . . . 0.0 110.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -100.97 109.87 21.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.271 0.557 . . . . 0.0 110.429 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.543 ' HG2' HG22 ' A' ' 67' ' ' VAL . 54.1 mtmt -106.13 160.44 15.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.429 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.7 ttp -92.24 169.49 10.56 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.563 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.6 p -53.6 -31.53 47.43 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.174 0.59 . . . . 0.0 112.399 -177.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.99 -6.98 52.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.323 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.39 -9.53 71.77 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -64.29 122.65 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.389 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' ' 61' ' ' LYS . 55.8 t -74.96 122.75 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.619 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 69.6 mt -87.06 141.89 28.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.836 0.35 . . . . 0.0 111.049 -173.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.52 ' HB3' ' OD1' ' A' ' 71' ' ' ASN . 3.1 mm? -127.35 154.36 77.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.18 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 72.6 Cg_endo -80.7 -22.89 6.16 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.399 2.066 . . . . 0.0 112.742 176.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.52 ' OD1' ' HB3' ' A' ' 69' ' ' LEU . 24.2 p-10 -89.6 -24.21 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.786 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -111.9 112.01 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.6 tp -87.0 117.23 25.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.121 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 85.2 m-85 -104.44 146.36 32.45 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.577 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.2 Cg_endo -86.77 155.29 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.977 2.451 . . . . 0.0 112.032 176.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -84.2 140.82 39.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.82 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.96 -31.56 15.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.649 2.233 . . . . 0.0 113.132 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.76 -163.83 30.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.038 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.526 ' HG3' ' HE ' ' A' ' 38' ' ' ARG . 1.9 mp0 -70.26 -46.63 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.7 m -98.78 106.34 18.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.097 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -131.37 163.4 27.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 56.0 mtt85 -124.69 131.65 53.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.488 -175.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.711 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.7 mt -106.37 119.03 38.18 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.987 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.8 100.08 11.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.282 0.563 . . . . 0.0 110.587 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -91.43 107.09 18.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.433 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -88.89 108.57 19.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.091 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 m -76.93 105.2 7.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.995 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.03 1.4 45.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.72 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.3 p -109.51 162.51 14.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.309 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -123.28 11.14 9.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 110.638 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -137.89 -175.22 4.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.206 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 49.5 tt0 -60.57 133.31 55.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.349 0.595 . . . . 0.0 112.009 -174.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -142.96 135.92 28.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.197 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.462 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 62.2 m -110.75 127.55 55.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.229 0.538 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.57 120.28 57.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.691 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -102.11 113.06 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.8 114.54 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.36 118.86 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HE2' HD12 ' A' ' 109' ' ' LEU . 74.8 m-85 -109.23 115.34 29.83 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 170.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.474 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 10.5 pt20 -126.39 148.78 49.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.145 0.498 . . . . 0.0 112.321 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 105' ' ' GLN . 34.1 m-20 -88.03 163.78 16.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.336 173.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.465 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 11.6 p -73.16 -5.44 39.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.646 0.736 . . . . 0.0 109.587 170.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -79.73 -22.49 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.197 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.82 -12.73 35.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.464 ' HB3' ' OD2' ' A' ' 101' ' ' ASP . 7.6 tt0 -76.89 144.42 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 pp -147.95 149.35 32.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.405 0.621 . . . . 0.0 111.729 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -120.45 109.75 15.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.727 172.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -96.72 127.06 42.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.122 0.487 . . . . 0.0 110.372 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.439 HD12 ' HE2' ' A' ' 99' ' ' PHE . 82.5 mt -105.52 113.41 26.96 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.113 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -92.53 114.1 26.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.436 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.512 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.9 m-85 -105.9 118.28 36.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.556 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.1 m -108.93 108.1 18.72 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 98.6 m-85 . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.67 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.851 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 84.7 m-85 . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 121.018 0.437 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -123.95 124.15 41.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.546 ' HB ' ' NE2' ' A' ' 107' ' ' GLN . 12.8 mm -101.63 105.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.22 133.67 35.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.878 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 p -125.03 145.58 49.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -86.27 145.58 40.52 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.24 145.04 68.16 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.936 2.424 . . . . 0.0 112.743 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 32' ' ' ILE . 26.9 m -120.21 155.99 55.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -60.45 144.76 99.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.645 2.23 . . . . 0.0 111.77 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -89.28 -40.44 12.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -175.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -98.73 111.14 23.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.39 123.8 45.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' ' 28' ' ' GLU . 22.3 pttm -86.13 164.69 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.639 177.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG13 ' HA ' ' A' ' 88' ' ' ALA . 43.3 t -70.28 126.71 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.81 0.338 . . . . 0.0 110.122 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.94 2.24 66.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.856 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 28.2 tt0 -90.07 145.21 25.24 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.6 m -111.57 118.13 34.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.899 0.38 . . . . 0.0 111.36 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.18 117.27 33.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.538 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -80.92 110.77 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 HG11 ' A' ' 20' ' ' VAL . 47.5 mt -93.08 99.51 9.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -78.43 127.58 32.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -125.26 126.8 45.71 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.528 -175.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.533 HE21 ' HA ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -119.21 113.28 20.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.542 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.85 104.78 17.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -89.64 100.7 13.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 -173.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.635 HH22 HG21 ' A' ' 45' ' ' THR . 12.4 ptm180 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.635 HG21 HH22 ' A' ' 38' ' ' ARG . 27.4 m . . . . . 0 N--CA 1.444 -0.726 0 CA-C-O 121.116 0.484 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -118.47 142.98 47.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.02 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.672 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 43.7 m-85 -97.38 124.49 41.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.888 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' HB3' HD11 ' A' ' 73' ' ' LEU . 86.6 m-85 -124.8 148.2 48.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.704 0.288 . . . . 0.0 110.448 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.91 144.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -153.16 166.07 33.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.591 ' HE2' ' HB3' ' A' ' 68' ' ' LEU . 17.5 m-85 -132.0 164.74 25.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.776 -173.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.615 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 75.5 t80 -135.96 140.62 44.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -116.84 94.63 44.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.1 Cg_endo -76.37 -47.0 0.16 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.967 1.778 . . . . 0.0 111.685 175.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -147.08 137.68 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.22 -179.26 25.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.255 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.67 134.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.922 0.391 . . . . 0.0 110.572 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.56 133.81 3.58 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.859 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.3 m -87.66 110.68 20.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 83' ' ' LEU . 36.7 tp -100.69 119.58 38.8 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -109.71 149.45 29.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.6 ttm -82.65 166.74 18.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 3.8 p -52.22 -31.52 32.44 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.49 -2.13 37.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.658 0.266 . . . . 0.0 111.597 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.38 -5.7 77.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.205 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -59.93 117.73 5.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.524 0.33 . . . . 0.0 111.239 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -75.7 124.31 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.333 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.591 ' HB3' ' HE2' ' A' ' 51' ' ' TYR . 7.0 mt -103.06 127.54 50.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.967 -175.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.62 155.35 37.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.461 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.36 158.05 52.2 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.53 2.153 . . . . 0.0 112.89 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.7 t30 71.85 -37.17 0.38 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.276 1.03 . . . . 0.0 112.436 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.74 135.18 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 48' ' ' PHE . 35.3 tp -90.39 115.49 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.382 . . . . 0.0 110.955 -175.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 96.5 m-85 -103.89 146.15 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.95 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 11.3 Cg_endo -88.99 137.0 3.1 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.006 2.471 . . . . 0.0 111.692 173.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 92.7 mt -92.92 131.21 33.98 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.364 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.03 5.83 4.23 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.916 2.411 . . . . 0.0 112.993 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 173.09 -164.59 36.58 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.358 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -110.5 -11.82 14.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.355 0.597 . . . . 0.0 110.197 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 m -111.35 98.29 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.82 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -145.07 158.38 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.094 0.473 . . . . 0.0 111.242 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.466 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.572 ' HB3' HD11 ' A' ' 60' ' ' LEU . 85.2 mt -108.12 133.8 51.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.466 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 68.0 m-85 -103.11 101.56 11.53 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.175 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -87.56 116.31 25.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.2 m -103.88 107.83 18.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.103 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 129.67 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -121.75 -0.96 9.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.875 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.583 ' OG ' ' HG2' ' A' ' 93' ' ' GLN . 24.3 p -122.19 152.22 40.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 176.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 m -91.26 -26.28 19.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.074 0.464 . . . . 0.0 110.966 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -94.41 -159.07 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.12 117.23 3.55 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 111.388 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.915 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 61.0 mt-30 -101.77 111.99 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.326 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.496 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 5.8 m -115.6 105.62 12.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.923 0.392 . . . . 0.0 110.616 -178.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.77 114.14 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.576 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 5.1 t0 -92.74 111.41 23.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.3 t -108.86 131.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.702 0.286 . . . . 0.0 111.246 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.478 ' HB3' HD11 ' A' ' 106' ' ' LEU . 64.4 m-85 -115.91 122.01 44.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.9 113.6 26.65 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.564 ' HB3' HD13 ' A' ' 106' ' ' LEU . 20.7 pt20 -122.19 137.81 54.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.61 0.719 . . . . 0.0 111.614 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -112.51 155.25 24.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.761 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.616 ' OG ' ' HA ' ' A' ' 45' ' ' THR . 11.2 p -74.28 0.47 14.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.944 0.402 . . . . 0.0 111.709 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -78.71 -14.05 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.179 0.514 . . . . 0.0 109.673 171.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.08 1.62 45.09 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.699 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.851 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 11.2 tp60 -80.24 125.85 30.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 100' ' ' GLN . 59.7 tp -128.33 116.23 19.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.024 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.546 ' NE2' ' HB ' ' A' ' 15' ' ' ILE . 7.6 tt0 -114.33 118.17 33.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -97.26 146.27 25.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.78 114.59 12.79 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 m -94.52 112.66 24.43 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.019 0.438 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.68 119.36 37.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -105.24 108.2 19.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.544 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.915 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 93.2 m-85 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 19.0 m-85 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.141 0.496 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -127.57 125.63 40.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.812 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 36' ' ' LEU . 51.1 mt -101.52 115.24 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.942 0.401 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -93.81 116.34 28.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.465 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 32.2 p -93.23 135.82 34.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.437 ' HG3' ' HB2' ' A' ' 33' ' ' ARG . 95.9 mmm -64.53 134.31 95.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.75 124.13 11.82 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.474 2.782 . . . . 0.0 112.573 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.464 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 15.8 m -79.15 157.74 75.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.931 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 97.7 Cg_endo -85.4 171.22 8.89 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.58 2.853 . . . . 0.0 114.173 -171.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -107.55 10.66 29.18 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.093 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -140.33 136.84 33.62 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.09 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -142.75 146.4 34.26 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.719 0.295 . . . . 0.0 110.385 179.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 50.8 mttm -109.04 136.14 49.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.74 111.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 0.0 110.352 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.11 -2.42 29.91 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.735 -175.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . 8.2 tp10 -95.56 158.29 15.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.941 0.4 . . . . 0.0 110.233 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 30.0 m -107.72 140.61 40.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.49 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.28 122.23 47.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.644 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 84' ' ' TYR . 20.2 pt-20 -88.82 100.36 13.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mt -84.35 102.89 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.299 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HB2' ' HG3' ' A' ' 18' ' ' MET . 96.0 mtt180 -87.39 119.83 28.07 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.155 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 17' ' ' THR . 31.9 m -120.29 127.37 52.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -112.02 112.81 24.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.196 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 15' ' ' ILE . 10.6 tt -89.12 120.85 30.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.9 114.56 21.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 121.096 0.474 . . . . 0.0 111.453 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.233 0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.85 129.06 46.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.827 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 33.0 m-85 -103.93 148.3 26.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.718 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 95.1 m-85 -125.32 139.62 53.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.631 0.253 . . . . 0.0 110.667 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -124.72 131.09 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.38 0.61 . . . . 0.0 111.388 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -152.2 142.5 22.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 174.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.638 ' HE2' HE21 ' A' ' 53' ' ' GLN . 37.4 p90 -133.31 166.45 22.46 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.48 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -136.78 122.82 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.638 HE21 ' HE2' ' A' ' 51' ' ' TYR . 9.8 pt20 -113.1 105.0 55.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.165 0.507 . . . . 0.0 110.368 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.45 -20.66 18.03 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 123.014 2.476 . . . . 0.0 111.785 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -97.67 153.66 18.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.959 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.17 96.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.522 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.577 ' HB1' ' OH ' ' A' ' 85' ' ' TYR . . . -117.09 -158.72 0.71 Allowed 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.623 0.249 . . . . 0.0 111.423 -174.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.85 -161.07 27.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.073 -174.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -105.75 128.3 53.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.369 . . . . 0.0 110.841 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' ' 83' ' ' LEU . 60.8 tp -102.23 123.19 45.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -109.69 161.89 14.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.17 0.509 . . . . 0.0 110.043 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.3 ttp -107.56 157.76 17.78 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -56.36 -20.1 17.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -70.18 -21.79 63.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.382 0.611 . . . . 0.0 110.46 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.18 -7.04 34.83 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.62 132.37 46.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.397 -0.401 . . . . 0.0 111.126 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.9 t -88.92 126.0 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.6 mt -94.5 112.3 24.06 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.052 0.453 . . . . 0.0 110.841 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 69' ' ' LEU . 3.5 mm? -96.63 144.36 27.71 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.761 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.54 -2.07 8.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.967 2.445 . . . . 0.0 112.461 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -85.31 -33.93 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.601 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.3 163.51 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.955 0.407 . . . . 0.0 111.637 -171.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 48' ' ' PHE . 60.5 tp -107.2 119.15 38.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.297 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.61 148.1 35.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -85.75 132.07 4.03 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.503 2.135 . . . . 0.0 112.472 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.827 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 77.3 mt -83.49 115.8 61.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.203 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.22 5.59 5.88 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.038 2.492 . . . . 0.0 113.403 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -156.89 152.23 23.59 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.839 -177.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HG2' ' NE ' ' A' ' 38' ' ' ARG . 2.3 mp0 -79.35 -42.91 24.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.272 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.3 p -102.8 101.51 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.402 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -126.7 150.46 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.51 . . . . 0.0 111.402 -172.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -114.85 135.35 54.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.951 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.569 ' HB3' HD11 ' A' ' 60' ' ' LEU . 83.8 mt -109.51 136.09 49.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.768 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 40.1 m-85 -106.21 100.94 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.372 0.606 . . . . 0.0 111.056 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.577 ' OH ' ' HB1' ' A' ' 57' ' ' ALA . 42.8 t80 -98.83 107.7 20.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 18.7 m -88.2 107.28 18.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -92.55 139.63 30.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.56 20.11 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.197 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.586 ' HB3' ' NE2' ' A' ' 93' ' ' GLN . 9.4 t -130.95 152.17 50.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.104 -178.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -111.28 2.81 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.544 0.687 . . . . 0.0 109.883 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.37 174.56 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.596 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.4 103.56 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.4 0.619 . . . . 0.0 109.606 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.586 ' NE2' ' HB3' ' A' ' 89' ' ' SER . 21.8 mt-30 -94.23 119.2 32.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.412 -173.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.7 m -88.54 105.93 17.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 0.0 110.347 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 t -108.64 101.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -97.16 110.92 23.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -106.31 134.5 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.091 0.472 . . . . 0.0 111.077 -173.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.529 ' HB3' HD11 ' A' ' 106' ' ' LEU . 57.1 m-85 -111.86 116.45 30.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.404 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.97 112.81 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.606 ' HB3' HD13 ' A' ' 106' ' ' LEU . 4.5 pt20 -124.65 164.38 20.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.682 -178.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.07 175.41 9.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.615 -177.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.9 m -72.99 -21.33 60.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.083 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.89 -14.71 58.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.55 9.79 20.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.107 -1.044 . . . . 0.0 114.138 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -83.58 155.42 23.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.645 0.723 . . . . 0.0 110.175 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 100' ' ' GLN . 35.5 tp -147.08 116.07 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.42 114.53 27.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.414 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -92.73 128.47 38.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.6 mt -120.39 109.11 14.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 m -99.29 113.65 26.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.88 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.465 ' HZ ' HG21 ' A' ' 17' ' ' THR . 92.8 m-85 -109.88 122.73 48.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.221 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 p -95.38 107.43 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.838 -177.068 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.193 0.52 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.0 m -105.23 119.84 40.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.418 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.97 122.78 61.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.282 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.83 142.47 37.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.104 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 p -122.39 131.13 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.109 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.4 mtp -69.2 133.89 89.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -43.65 125.93 5.25 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.688 2.925 . . . . 0.0 113.092 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.1 m -86.37 164.51 37.78 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.908 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.45 148.01 82.85 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.743 2.295 . . . . 0.0 112.01 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -81.72 -45.05 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.644 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -124.9 136.98 54.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.758 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 87' ' ' SER . 65.6 mt -119.18 115.45 24.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.738 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -77.58 153.25 33.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.501 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.02 114.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.767 0.318 . . . . 0.0 110.281 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.63 3.54 22.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.616 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -91.12 149.09 21.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.563 -0.374 . . . . 0.0 110.533 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 m -120.13 107.51 13.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 0.0 110.082 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.06 126.16 34.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.508 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 39.5 mt-10 -87.92 100.32 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.28 175.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.909 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 57.2 mt -80.51 99.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 175.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 32.5 mtm-85 -88.28 115.5 25.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.252 0.548 . . . . 0.0 110.498 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.2 t -125.39 134.75 52.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.433 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -138.27 121.04 16.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.136 0.494 . . . . 0.0 111.059 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 10.2 tt -75.68 112.71 12.33 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 168.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -82.78 100.33 10.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.398 0.618 . . . . 0.0 111.212 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.84 176.642 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 121.222 0.534 . . . . 0.0 111.854 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -107.26 138.39 43.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.352 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.886 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 28.2 m-85 -99.19 150.59 21.9 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.613 ' HB2' ' HB2' ' A' ' 100' ' ' GLN . 91.9 m-85 -132.77 154.45 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.8 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.9 tt -141.72 141.56 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -152.95 166.53 32.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' HE1' HD13 ' A' ' 68' ' ' LEU . 87.7 m-85 -136.5 166.3 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.894 0.378 . . . . 0.0 111.922 -177.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -157.83 114.63 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.781 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -109.53 112.22 58.96 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.05 175.767 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 3.5 Cg_exo -80.87 -7.19 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 123.179 2.586 . . . . 0.0 112.37 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -128.57 -175.71 3.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.891 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.31 127.14 7.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.294 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.07 -173.36 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.594 0.235 . . . . 0.0 110.908 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.04 -137.92 9.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.157 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.3 m -110.31 134.22 52.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 110.668 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' A' ' 85' ' ' TYR . 44.2 tp -125.58 125.78 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -177.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 50.2 mtmt -135.2 159.77 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.4 ttp -83.73 159.2 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -52.45 -26.0 11.58 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.26 -23.42 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.42 -3.62 15.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.4 m -73.65 118.12 16.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.101 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.558 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 40.7 t -69.79 128.99 33.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.611 HD13 ' HE1' ' A' ' 51' ' ' TYR . 57.5 mt -101.92 99.51 9.71 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 81.7 mt -102.9 154.65 37.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.993 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 16.4 Cg_exo -69.59 -9.98 27.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.143 2.562 . . . . 0.0 112.276 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -76.04 -38.62 56.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -113.39 156.13 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -173.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -106.78 112.42 25.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 42.5 m-85 -96.29 136.11 22.17 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -173.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 6.2 Cg_exo -79.63 136.92 12.53 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.667 2.245 . . . . 0.0 111.527 174.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.886 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.9 mt -89.14 114.91 62.14 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.084 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.15 -3.66 14.16 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.4 160.06 32.28 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.744 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -90.61 -13.26 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.094 0.474 . . . . 0.0 110.778 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 111.7 21.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.154 176.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -154.71 166.63 32.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 -175.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 97.2 mtt180 -118.77 147.46 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.459 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.909 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 39.1 mt -115.47 134.26 55.25 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.772 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 57.0 m-85 -110.97 110.1 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.501 ' HB2' HD13 ' A' ' 60' ' ' LEU . 74.0 t80 -107.93 122.95 47.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 178.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -97.6 117.0 30.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.879 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.425 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 2.5 p -74.85 115.93 15.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.187 0.518 . . . . 0.0 111.504 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.09 21.11 4.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -119.68 162.83 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.665 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 p -123.12 -0.08 8.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 111.908 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -113.44 -167.42 1.2 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -72.26 111.59 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.712 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 21.8 mt-30 -83.07 111.04 18.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.347 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -105.64 109.03 20.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.142 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.63 117.94 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 34.3 t0 -96.36 118.28 32.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.517 HG22 ' HE2' ' A' ' 51' ' ' TYR . 40.5 t -99.1 126.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.755 -176.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -107.06 118.5 36.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.687 0.279 . . . . 0.0 111.149 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -109.85 133.37 53.23 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.724 ' HG2' HD22 ' A' ' 106' ' ' LEU . 25.8 mt-30 -132.7 150.04 52.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.73 0.3 . . . . 0.0 110.951 -177.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 159.21 17.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.789 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.1 p -71.24 -9.65 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.748 0.785 . . . . 0.0 109.535 173.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.79 -17.06 56.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.36 18.38 26.38 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.035 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.59 138.53 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -122.0 116.0 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.213 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -126.57 109.59 12.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 4.5 pt20 -114.24 133.23 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.302 0.573 . . . . 0.0 111.42 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.46 113.19 18.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.923 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 13.7 m -94.16 113.88 25.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.837 0.351 . . . . 0.0 110.535 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.04 136.54 41.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.671 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.0 p -120.33 108.53 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.712 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 98.3 m-85 . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.2 p90 . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.077 0.465 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t -106.6 128.49 54.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.58 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' A' ' 35' ' ' GLN . 57.8 mt -132.24 105.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 109.866 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -104.68 153.75 20.85 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.479 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.514 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 41.1 p -119.37 143.15 47.59 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.409 -177.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.6 mtt -72.79 147.93 89.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.55 127.84 23.96 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.162 2.575 . . . . 0.0 112.662 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 m -105.11 155.68 37.33 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.562 -174.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 127.39 10.09 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.753 2.302 . . . . 0.0 110.997 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.81 -27.67 40.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.047 0.451 . . . . 0.0 110.454 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -110.0 121.58 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.271 0.558 . . . . 0.0 110.51 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 HE21 ' A' ' 93' ' ' GLN . 85.0 mt -122.6 170.74 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.502 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HD3' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.77 152.86 41.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 89' ' ' SER . 20.3 t -58.01 121.26 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 173.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.3 -15.75 58.67 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.148 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 13.6 mm-40 -79.23 125.52 29.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.433 . . . . 0.0 109.954 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.8 m -100.62 117.13 34.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.187 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.33 113.75 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -78.96 108.82 12.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.845 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -102.81 99.91 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -83.39 133.06 34.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.486 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.9 m -116.87 146.9 42.62 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.771 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 7.1 tp60 -116.9 112.78 21.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 7.5 tt -99.8 122.01 42.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -129.92 117.13 19.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.199 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 9.5 ptm180 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.082 172.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.853 0.359 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 102' ' ' SER . 67.7 mttm -99.21 140.21 33.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.116 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.837 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 55.8 m-85 -102.01 146.42 27.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.094 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 78.0 m-85 -127.73 150.1 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 0.0 110.758 -178.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.87 140.35 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.702 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 26.2 ttp180 -162.1 135.5 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.655 ' HE2' HE21 ' A' ' 53' ' ' GLN . 39.3 p90 -138.41 166.79 23.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.541 -173.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -132.75 125.17 29.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.778 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.655 HE21 ' HE2' ' A' ' 51' ' ' TYR . 6.8 pt20 -112.87 94.48 29.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.73 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.36 -46.87 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.447 2.098 . . . . 0.0 112.673 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -116.37 -28.99 6.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.064 -176.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 92' ' ' GLN . . . -72.4 94.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.567 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -83.42 98.57 9.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.196 0.522 . . . . 0.0 110.764 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.6 161.17 32.97 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.097 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.47 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 29.7 m -98.13 114.29 26.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 83' ' ' LEU . 38.0 tp -94.24 116.96 29.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.533 . . . . 0.0 110.665 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 84' ' ' TYR . 50.6 mttm -106.26 151.07 25.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.228 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.7 ttm -82.29 164.28 21.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.403 ' HA ' ' HE2' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -54.93 -23.6 19.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.118 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -86.83 -15.73 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.698 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.75 -6.09 24.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.06 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.1 m -67.61 125.62 26.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.765 0.283 . . . . 0.0 111.521 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.44 121.26 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.8 mt -91.47 118.81 30.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.339 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 4.1 mm? -76.15 124.56 88.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 171.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 88.5 Cg_exo -47.33 -49.23 13.4 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.498 2.798 . . . . 0.0 114.022 -172.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -87.38 4.41 43.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -103.48 144.92 30.76 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.968 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 48' ' ' PHE . 33.2 tp -93.71 111.31 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.696 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -105.07 151.88 39.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -86.05 147.3 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.645 2.23 . . . . 0.0 112.184 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.837 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.3 mt -94.84 129.75 35.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.85 -23.72 30.05 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.932 2.421 . . . . 0.0 113.106 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.28 -177.43 39.93 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.042 -1.075 . . . . 0.0 112.856 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -82.79 -34.43 27.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -94.42 40.99 1.09 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.219 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -75.18 163.56 27.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.343 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.87 145.74 52.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.649 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' A' ' 60' ' ' LEU . 96.0 mt -116.45 139.48 50.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 61' ' ' LYS . 91.0 m-85 -117.2 109.35 16.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 0.0 110.983 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -95.32 106.35 18.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.619 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.47 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.9 m -86.95 106.75 18.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.543 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -66.88 130.38 42.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.97 23.78 3.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.713 0.292 . . . . 0.0 111.648 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.565 ' O ' HG22 ' A' ' 26' ' ' VAL . 15.8 t -126.3 -178.76 4.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -61.12 -43.4 98.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 149.28 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.446 -1.706 . . . . 0.0 110.38 150.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.557 ' O ' ' HA2' ' A' ' 56' ' ' GLY . 5.9 tm0? -105.39 118.1 35.7 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.072 168.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 17.3 mp0 -119.72 108.17 14.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.817 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 m -143.6 105.55 4.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.819 171.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.95 135.03 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.086 -174.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -101.37 112.2 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.84 116.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.467 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 91.7 m-85 -93.12 126.82 38.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.319 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.456 ' CE2' HD12 ' A' ' 109' ' ' LEU . 81.5 m-85 -109.02 114.46 28.22 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.569 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 11.3 tt0 -108.33 120.43 42.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.788 -169.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -91.03 152.47 20.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.912 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 17.4 t -67.99 -15.28 63.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.676 -175.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -79.47 -9.18 59.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.3 10.8 33.09 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 177.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -103.17 126.48 50.36 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.486 ' HB3' ' HG3' ' A' ' 100' ' ' GLN . 3.1 pp -123.21 135.01 54.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.131 0.491 . . . . 0.0 110.346 177.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.432 HE22 ' HB ' ' A' ' 15' ' ' ILE . 9.5 tt0 -110.71 118.26 35.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.47 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -90.33 107.64 19.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.282 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.456 HD12 ' CE2' ' A' ' 99' ' ' PHE . 67.7 mt -100.91 115.12 29.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.833 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -92.73 120.8 33.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.47 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.514 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.1 m-85 -105.51 118.0 35.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 m -128.26 109.7 11.72 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.613 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 2.3 m-85 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.301 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 38' ' ' ARG . 13.3 t -168.1 110.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 167.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.474 HD11 ' HE1' ' A' ' 13' ' ' PHE . 41.1 mt -129.64 133.04 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.565 0.222 . . . . 0.0 111.341 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.35 135.45 43.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.456 HG21 HD13 ' A' ' 109' ' ' LEU . 36.9 p -119.36 126.97 52.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.554 -173.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.472 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.5 mpt? -72.23 130.2 86.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -58.4 146.31 90.55 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.05 2.5 . . . . 0.0 112.805 -177.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.455 HG11 HG12 ' A' ' 32' ' ' ILE . 28.7 m -96.4 167.05 12.98 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.561 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 32.9 Cg_exo -57.65 141.94 95.6 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.324 2.016 . . . . 0.0 111.362 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -71.18 -48.29 52.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.331 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -108.17 138.03 45.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.503 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -133.0 151.65 52.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.094 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.22 161.8 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.954 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.56 111.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.61 2.77 32.71 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.993 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -88.62 158.89 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 m -127.13 119.71 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 110.787 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.26 114.1 27.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -84.86 102.01 12.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.235 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 31.1 mt -82.4 98.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -82.45 114.56 20.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.424 ' SG ' HG22 ' A' ' 17' ' ' THR . 25.5 m -121.09 126.69 50.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -114.02 120.35 40.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.999 0.428 . . . . 0.0 110.205 174.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -85.84 121.2 28.16 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 172.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -128.81 106.31 8.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.66 -174.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.6 mmm180 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 112.829 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 102' ' ' SER . 6.1 m . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.26 159.07 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 65.8 m-85 -109.4 133.25 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.836 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.506 ' HB3' HD21 ' A' ' 73' ' ' LEU . 83.1 m-85 -124.93 136.78 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.385 . . . . 0.0 110.884 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.0 tt -111.94 133.66 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.476 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 23.0 ttp180 -156.21 106.22 2.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.346 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.502 ' CB ' ' HA ' ' A' ' 97' ' ' VAL . 19.5 p90 -105.31 158.7 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.485 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.435 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 69.5 t80 -122.76 144.35 49.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.957 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -110.28 94.69 19.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 94' ' ' THR . 24.3 Cg_exo -63.66 -38.01 43.25 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.109 1.873 . . . . 0.0 110.149 173.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.73 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 30.9 m-20 -108.99 106.82 16.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 171.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.95 72.69 1.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.499 -174.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.55 122.27 9.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.496 0.188 . . . . 0.0 110.501 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.25 154.52 9.41 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.616 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.478 HG22 ' HG3' ' A' ' 61' ' ' LYS . 90.4 m -122.32 111.85 17.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.725 0.298 . . . . 0.0 110.506 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 83' ' ' LEU . 53.2 tp -94.03 115.33 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HG3' HG22 ' A' ' 59' ' ' THR . 36.1 mtmm -120.4 152.98 37.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.733 0.301 . . . . 0.0 110.669 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.6 ttm -84.92 163.09 19.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -57.83 -20.35 35.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -89.27 -7.56 55.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.747 0.308 . . . . 0.0 110.802 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.13 -3.07 37.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.06 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.2 m -68.31 124.55 23.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.725 0.298 . . . . 0.0 111.278 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 48.4 t -81.93 116.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.815 176.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD12 ' HG ' ' A' ' 60' ' ' LEU . 43.7 mt -84.88 122.38 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.816 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.7 mt -93.05 143.26 26.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.864 0.364 . . . . 0.0 111.196 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.3 132.84 40.43 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.489 2.126 . . . . 0.0 111.883 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 73.08 -6.42 1.71 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.439 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -88.96 150.9 22.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 48' ' ' PHE . 6.7 tt -118.72 129.3 55.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.707 0.289 . . . . 0.0 111.029 -170.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -131.11 156.8 79.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.909 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.44 149.39 11.61 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.886 2.39 . . . . 0.0 111.84 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -91.3 119.47 68.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.557 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 63.0 Cg_endo -94.44 6.23 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.267 2.645 . . . . 0.0 114.125 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -150.9 157.07 27.0 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 119.866 -1.159 . . . . 0.0 113.5 -176.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -93.49 -40.1 10.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -104.72 81.06 1.72 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.446 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.3 164.54 13.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.867 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 32.3 mtm180 -129.71 128.38 42.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.328 -178.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 89.8 mt -102.43 115.86 31.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.942 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -99.85 101.06 12.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.14 0.495 . . . . 0.0 110.932 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -86.8 114.26 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.129 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.7 m -85.65 113.54 21.95 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -73.59 108.4 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.391 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.44 -6.69 21.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.882 174.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.1 t -106.89 143.43 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.133 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.5 t -115.08 3.06 14.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.204 0.526 . . . . 0.0 109.978 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -119.83 -173.7 2.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.907 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -65.26 103.43 0.79 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.325 0.583 . . . . 0.0 110.547 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.73 ' HG2' ' HB2' ' A' ' 55' ' ' ASP . 25.0 tm0? -121.66 133.24 54.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.192 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.456 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 86.4 m -108.47 118.57 37.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -101.38 120.84 51.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.89 172.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -113.11 110.69 20.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.098 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.502 ' HA ' ' CB ' ' A' ' 51' ' ' TYR . 39.5 t -104.95 121.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 -173.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 97.4 m-85 -99.12 122.07 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.791 0.329 . . . . 0.0 110.776 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 39.7 m-85 -108.8 111.9 23.89 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 48' ' ' PHE . 11.3 pt20 -105.8 130.51 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.607 0.718 . . . . 0.0 112.18 -172.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -80.87 157.96 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.613 ' HB2' HG23 ' A' ' 45' ' ' THR . 49.3 m -69.37 -25.23 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.27 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -80.13 -20.13 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 0.0 110.819 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.84 -3.37 10.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.968 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -73.49 102.2 3.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -106.8 134.28 50.19 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.415 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -110.07 110.4 21.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.815 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -92.23 111.08 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.456 HD13 HG21 ' A' ' 17' ' ' THR . 68.1 mt -99.89 108.95 21.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.8 m -100.7 115.95 31.46 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.603 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -113.92 118.63 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.674 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 52.1 m -115.07 119.96 38.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -169.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.008 0.432 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -149.04 -48.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.572 ' HB2' HG12 ' A' ' 5' ' ' VAL . 5.8 m-20 66.23 -3.17 0.85 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.465 0.706 . . . . 0.0 112.894 170.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 60.34 24.86 14.34 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.942 0.497 . . . . 0.0 111.232 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.572 HG12 ' HB2' ' A' ' 3' ' ' ASP . 4.1 p -108.98 103.5 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.614 0.721 . . . . 0.0 110.042 177.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -78.39 120.51 23.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.268 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.1 mt -75.98 99.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.751 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -145.54 120.29 9.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.341 173.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -100.22 84.7 2.87 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.438 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 22.8 p -119.84 168.83 10.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.17 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -89.08 112.14 49.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.639 0.257 . . . . 0.0 110.608 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 10' ' ' SER . 25.6 Cg_exo -62.91 122.36 10.61 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.777 2.318 . . . . 0.0 111.332 176.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -67.53 139.2 56.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.241 0.543 . . . . 0.0 111.102 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -107.81 134.35 50.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.876 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.22 113.01 43.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -86.44 110.45 19.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.515 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 74.9 p -109.84 139.78 44.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.547 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 7.2 ptp -71.23 145.5 91.03 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.086 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.69 110.9 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.623 2.216 . . . . 0.0 111.711 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -78.53 158.89 75.58 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.128 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -55.58 133.54 58.68 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.526 2.151 . . . . 0.0 111.931 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -89.98 -14.78 33.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.293 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 66.4 mttm -129.39 132.53 47.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.697 171.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.86 152.12 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.461 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -113.93 170.41 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.7 115.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.46 -10.5 50.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.72 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.81 144.12 39.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.2 m -122.54 124.65 44.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.53 123.51 36.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.374 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.588 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -89.56 100.55 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.434 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 44.6 mt -93.68 98.59 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.252 0.548 . . . . 0.0 110.675 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HB3' ' HG2' ' A' ' 18' ' ' MET . 60.5 ttp85 -80.26 117.38 20.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.18 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 32' ' ' ILE . 32.8 m -119.14 131.95 55.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -129.19 114.34 16.18 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.9 tt -88.63 116.73 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -176.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -91.88 113.63 25.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -150.31 117.9 6.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -63.62 154.92 31.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.381 0.61 . . . . 0.0 110.878 -176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . 77.94 -98.93 1.49 Allowed Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 -171.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.56 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 15.6 tpp180 178.54 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.933 ' HB2' ' HB ' ' A' ' 45' ' ' THR . 44.1 p90 176.43 164.18 0.42 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -130.09 93.61 3.52 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 52.97 31.96 11.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.787 0.803 . . . . 0.0 110.256 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.933 ' HB ' ' HB2' ' A' ' 42' ' ' PHE . 42.9 m -91.86 102.71 15.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.684 -177.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HB2' ' HE2' ' A' ' 46' ' ' LYS . 2.6 mppt? -96.13 142.36 28.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.17 141.22 31.37 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.554 ' HB3' HD11 ' A' ' 73' ' ' LEU . 95.1 m-85 -114.19 124.43 52.02 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.0 tt -106.88 129.95 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.433 0.635 . . . . 0.0 111.419 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 50' ' ' ARG . 44.7 ttp180 -150.93 140.57 21.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.403 ' CE1' HD23 ' A' ' 60' ' ' LEU . 35.7 p90 -133.92 144.0 48.57 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.831 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -107.76 131.62 54.25 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -118.58 102.62 49.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.5 Cg_exo -61.85 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.9 2.4 . . . . 0.0 111.453 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.21 -73.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.226 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.46 -26.33 3.07 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 113.159 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . -128.09 172.95 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.308 0.554 . . . . 0.0 111.483 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 126.6 3.01 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.688 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -94.92 111.82 23.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.68 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 83' ' ' LEU . 51.7 tp -106.91 111.8 24.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HG2' HG22 ' A' ' 67' ' ' VAL . 58.1 mtmt -116.04 143.74 45.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.7 ttm -76.42 156.63 32.97 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 82' ' ' ARG . 48.4 t -55.15 -28.05 49.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.87 0.367 . . . . 0.0 111.42 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.07 3.68 29.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.701 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.79 -3.81 65.45 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.093 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 m -71.75 116.49 12.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.597 0.237 . . . . 0.0 111.223 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' ' 61' ' ' LYS . 96.8 t -76.95 126.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.5 mt -101.94 118.89 37.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 0.0 110.861 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -92.49 134.27 28.31 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.897 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.58 -33.62 96.84 Favored 'Trans proline' 0 N--CA 1.474 0.36 0 C-N-CA 123.185 2.59 . . . . 0.0 113.412 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -85.71 -7.93 58.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.308 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.44 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 4.1 t70 -99.41 -172.46 2.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 48' ' ' PHE . 54.4 tp -148.54 117.16 6.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.8 m-85 -119.66 145.79 40.01 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.851 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 2.2 Cg_endo -82.57 141.27 11.01 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.885 2.39 . . . . 0.0 111.731 175.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.6 145.42 54.65 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.681 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.98 -10.24 18.05 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.717 2.278 . . . . 0.0 112.934 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -164.63 35.42 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.58 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -78.85 -31.38 45.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 0.0 110.555 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.7 p -96.05 98.47 10.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -138.17 153.27 49.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.35 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 91.1 mtm180 -129.71 143.09 50.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.2 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.603 ' HB3' HD11 ' A' ' 60' ' ' LEU . 89.8 mt -119.64 129.18 54.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.696 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.588 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 90.8 m-85 -107.46 103.78 13.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.959 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.487 ' HB2' HD13 ' A' ' 60' ' ' LEU . 68.7 t80 -100.33 112.37 24.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.459 -178.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -93.44 108.42 20.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.888 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 p -71.82 126.25 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.908 0.385 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.0 20.79 11.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.331 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 20.0 m -127.38 153.63 46.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.508 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 p -98.08 10.88 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.053 0.454 . . . . 0.0 111.136 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -163.38 1.04 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.96 113.48 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.658 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.8 mp0 -80.59 110.08 15.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.28 0.562 . . . . 0.0 109.573 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.545 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 17.5 m -109.44 110.97 22.24 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.783 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -120.67 108.88 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.22 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.472 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 44.9 t0 -97.58 110.15 22.77 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.9 t -100.88 130.71 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.53 ' HB3' HD11 ' A' ' 106' ' ' LEU . 43.2 m-85 -111.74 122.66 48.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.376 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -108.61 111.9 23.96 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 173.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -103.43 122.71 45.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.025 0.441 . . . . 0.0 110.767 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.48 156.77 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.794 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.586 ' HB3' HG23 ' A' ' 45' ' ' THR . 30.0 t -68.33 -26.83 65.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.387 -176.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -81.45 -5.88 58.37 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 111.093 -178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.79 7.3 39.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -88.39 128.35 35.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.338 0.569 . . . . 0.0 109.882 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 98' ' ' TYR . 52.2 tp -106.91 123.76 48.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.48 109.68 20.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.822 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -105.9 133.75 50.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.0 111.278 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -127.26 109.76 12.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.56 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 4.4 m -94.02 113.67 25.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.335 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -104.22 125.92 50.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.3 p -107.33 108.51 19.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.982 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.658 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 74.2 m-85 -99.22 147.28 25.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.208 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.671 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 66.2 t30 65.55 59.64 0.76 Allowed 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.831 0.707 . . . . 0.0 110.609 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -97.65 164.29 12.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -142.7 134.41 26.74 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.946 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.5 p -97.41 9.87 41.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.156 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.4 m 67.83 -177.67 0.21 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.243 -176.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.732 ' HB3' ' HB3' ' A' ' 122' ' ' GLU . 55.2 mtpt 62.47 45.85 6.1 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.193 0.308 . . . . 0.0 110.301 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 120' ' ' GLU . 1.6 mp0 -42.73 -59.4 1.95 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.379 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.49 -3.79 20.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.705 0.288 . . . . 0.0 111.0 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 119' ' ' LYS . 21.2 tt0 -69.34 -27.79 65.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.226 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.66 98.66 4.11 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 167.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.34 78.91 1.35 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -111.04 66.39 0.63 Allowed 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 166.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -20.0 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.495 -166.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -77.36 105.69 8.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.101 0.477 . . . . 0.0 110.178 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -97.27 148.6 22.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.431 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -116.16 169.64 9.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.718 0.294 . . . . 0.0 110.469 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.488 -0.768 . . . . 0.0 109.788 175.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.653 0.263 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.432 ' H ' ' H ' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -170.17 -1.0 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.656 0.741 . . . . 0.0 109.467 175.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' H ' ' H ' ' A' ' 2' ' ' ASN . 7.6 p-10 -89.59 -153.52 0.28 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.331 -174.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.64 125.53 29.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.894 0.854 . . . . 0.0 111.928 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 t -135.57 19.04 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -101.94 -1.67 31.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.297 -1.774 . . . . 0.0 111.746 -164.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.98 109.04 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 58.45 61.46 2.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.809 -173.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.42 149.71 46.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.793 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 p -77.75 163.99 25.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -66.84 118.12 51.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.43 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.12 126.48 18.0 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.859 2.373 . . . . 0.0 113.021 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' HE2' HD11 ' A' ' 15' ' ' ILE . 33.0 p90 -94.27 149.95 20.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.601 175.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 t -107.32 117.62 34.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.928 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.608 ' HB ' HE22 ' A' ' 107' ' ' GLN . 61.1 mt -103.72 108.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -99.92 156.59 17.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.216 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -131.3 150.89 51.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.461 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -73.91 150.62 88.33 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.077 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.59 107.71 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.2 m -79.06 161.29 68.87 Favored Pre-proline 0 C--O 1.238 0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.285 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.15 149.53 62.84 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.777 2.318 . . . . 0.0 111.749 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -83.11 -12.29 57.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -174.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HA ' ' H ' ' A' ' 114' ' ' ASN . 23.7 pttm -151.4 153.97 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -136.96 137.72 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.882 0.372 . . . . 0.0 111.136 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 54.5 tttm -81.72 154.2 26.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.785 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.87 119.8 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.49 -18.05 55.82 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -175.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 36.9 tt0 -77.66 129.11 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.1 m -108.69 129.7 55.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.054 0.454 . . . . 0.0 111.095 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 130.12 55.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.26 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.67 117.77 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.932 0.396 . . . . 0.0 110.384 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 51.6 mt -101.26 99.68 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -80.28 128.49 33.6 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 t -118.73 150.82 39.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.427 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -140.01 113.4 8.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -88.66 108.78 19.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.12 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -91.58 106.69 18.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.461 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.72 HH21 ' HE2' ' A' ' 47' ' ' TYR . 68.9 mtt85 -86.06 137.96 32.3 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 171.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -121.36 -79.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.699 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.71 -10.69 72.14 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.944 -173.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 62.98 101.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.545 0.688 . . . . 0.0 111.357 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -123.4 64.03 1.01 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.569 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 68.89 -179.53 0.23 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.618 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -89.63 60.71 5.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.398 0.618 . . . . 0.0 109.829 176.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 t -66.15 146.48 54.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.448 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -90.59 129.08 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.72 ' HE2' HH21 ' A' ' 38' ' ' ARG . 68.8 m-85 -100.3 129.79 46.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.405 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.574 ' HB3' HD11 ' A' ' 73' ' ' LEU . 72.2 m-85 -118.46 139.92 50.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -176.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.4 tt -115.07 133.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 111.052 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.47 ' NE ' HD13 ' A' ' 73' ' ' LEU . 14.3 ptp180 -148.75 136.15 20.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.581 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.8 p90 -120.71 156.84 30.93 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.636 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -135.61 108.96 7.82 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.789 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' HE2' ' A' ' 51' ' ' TYR . 4.6 pt20 -104.52 114.3 64.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.186 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.72 -33.68 97.1 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.62 2.214 . . . . 0.0 111.051 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -86.0 106.82 17.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.509 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.39 63.85 4.36 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.809 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -158.97 87.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.991 0.424 . . . . 0.0 110.425 177.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.89 147.86 7.7 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.801 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 91.6 m -118.75 112.3 19.58 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.754 0.311 . . . . 0.0 110.857 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HG ' HD12 ' A' ' 68' ' ' LEU . 55.9 tp -111.28 109.31 19.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.891 0.377 . . . . 0.0 110.228 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 36.8 mtmm -116.05 145.87 42.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.015 0.436 . . . . 0.0 110.689 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.2 ttp -89.47 152.81 21.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -57.53 -23.95 53.29 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.03 -20.11 65.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.939 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.96 -1.27 38.45 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.1 m -73.61 121.65 21.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.992 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 55.4 t -80.36 120.82 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.57 HD12 ' HG ' ' A' ' 60' ' ' LEU . 73.6 mt -90.22 129.37 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -176.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 3.9 mm? -104.26 155.25 37.5 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.581 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 40.5 Cg_endo -68.76 131.25 22.23 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.233 1.955 . . . . 0.0 111.629 174.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.3 m120 74.58 -35.22 0.29 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.259 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' HB2' ' HB2' ' A' ' 69' ' ' LEU . 2.8 m-20 -64.81 143.06 58.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.438 . . . . 0.0 110.636 178.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 48' ' ' PHE . 23.0 tp -105.78 129.41 53.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.545 -170.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 60.7 m-85 -123.25 135.94 26.52 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.631 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.4 Cg_exo -76.26 139.01 20.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.796 2.331 . . . . 0.0 111.924 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.2 117.36 68.13 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.661 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -87.18 1.14 7.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.169 2.579 . . . . 0.0 112.288 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.55 179.09 30.15 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.043 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 8.5 pt-20 -124.42 -18.54 5.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.017 0.436 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -110.3 31.11 6.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.281 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -66.64 151.61 47.02 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.181 -174.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -111.39 130.07 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.57 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.5 mt -102.9 138.34 39.91 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.317 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -118.49 102.85 9.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.106 0.479 . . . . 0.0 110.474 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -100.92 117.57 35.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.868 -177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.7 m -99.21 121.41 41.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.744 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 20.3 t -75.62 126.73 31.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -110.71 -4.04 15.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.211 0.529 . . . . 0.0 110.22 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 42.1 t -112.57 148.68 34.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.822 178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.3 t -111.61 8.56 20.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.467 0.651 . . . . 0.0 109.47 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -111.52 -165.51 1.0 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.024 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.52 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . 53.0 tp60 -56.58 118.09 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.744 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 9.8 tt0 -119.4 114.35 22.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.921 0.391 . . . . 0.0 110.191 -173.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 m -112.83 121.63 45.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.215 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -128.17 113.67 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.346 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -102.7 113.27 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.48 126.14 57.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -175.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.98 123.79 48.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -109.31 113.51 26.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 173.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.504 ' HB3' HD23 ' A' ' 106' ' ' LEU . 3.9 pt20 -115.36 145.17 42.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.349 0.595 . . . . 0.0 111.54 -175.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 19.4 t70 -108.6 161.55 14.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.229 -178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -65.86 -25.7 67.31 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -79.34 -23.53 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.462 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.78 -3.08 7.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.982 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 13.7 mm100 -63.52 142.61 58.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.724 0.297 . . . . 0.0 110.343 178.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.8 tm? -142.4 116.62 9.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.608 HE22 ' HB ' ' A' ' 15' ' ' ILE . 20.7 tt0 -113.92 118.5 34.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -105.15 126.76 52.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.006 0.432 . . . . 0.0 110.921 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -114.81 110.4 19.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.01 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 m -92.74 113.49 25.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.829 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -97.82 119.35 36.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.461 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.4 m -108.67 110.57 22.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.173 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.744 ' HB2' ' HB3' ' A' ' 93' ' ' GLN . 83.1 m-85 -101.26 164.58 11.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . 9.4 t30 80.0 -67.15 0.14 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.724 0.81 . . . . 0.0 111.32 178.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -136.63 128.47 29.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.326 0.584 . . . . 0.0 111.269 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -140.67 -22.57 0.8 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.566 174.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.0 m 66.09 13.1 8.93 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.876 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.2 m -90.32 39.78 0.98 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.065 -0.397 . . . . 0.0 111.601 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -169.58 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 0.0 111.523 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.15 153.14 26.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.849 0.833 . . . . 0.0 112.471 -167.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.85 91.71 3.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.434 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.42 103.98 16.16 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.44 53.84 10.23 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.997 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 58.55 109.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.081 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' A' ' 127' ' ' HIS . 0.7 OUTLIER -84.15 48.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.55 178.778 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.626 ' HD2' ' HB3' ' A' ' 128' ' ' HIS . 72.3 t60 71.29 -24.82 0.17 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.026 0.931 . . . . 0.0 112.19 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.442 ' H ' ' C ' ' A' ' 125' ' ' HIS . 70.1 t60 63.64 87.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.51 . . . . 0.0 110.105 -175.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.626 ' HB3' ' HD2' ' A' ' 126' ' ' HIS . 14.6 p80 -142.79 136.51 28.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.492 -177.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -161.97 127.78 3.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.571 174.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.311 179.666 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.7 t30 71.82 -89.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.389 0.676 . . . . 0.0 110.786 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -159.69 -65.21 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.319 0.58 . . . . 0.0 109.961 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -91.24 152.38 20.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.052 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -79.78 150.06 5.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -71.81 -173.8 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.691 0.282 . . . . 0.0 110.264 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 mm -72.42 115.66 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.935 0.397 . . . . 0.0 110.984 -175.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.12 156.58 35.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.577 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -81.08 87.11 6.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 p -91.5 11.93 22.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 63.95 83.65 0.2 Allowed Pre-proline 0 N--CA 1.465 0.276 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.688 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.46 166.12 14.02 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.939 2.426 . . . . 0.0 111.078 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -63.67 137.24 58.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.856 ' HA ' HE22 ' A' ' 107' ' ' GLN . 6.3 p -145.07 130.22 18.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.483 -177.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.0 mt -106.59 117.17 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.198 0.523 . . . . 0.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.41 113.4 25.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.022 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -96.75 133.86 40.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.872 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.6 mmt -72.24 144.84 87.57 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.495 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.74 130.84 31.84 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.207 2.604 . . . . 0.0 112.738 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 27.5 m -99.76 161.38 24.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.039 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 25.9 Cg_endo -62.97 165.03 17.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.933 2.422 . . . . 0.0 112.234 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.64 -31.85 18.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 149.87 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.204 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 30' ' ' ALA . 68.7 mt -127.19 143.1 51.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 49.1 mtpt -98.03 165.95 11.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.976 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.97 114.39 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.37 -3.57 59.78 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.804 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . 8.3 tp10 -83.56 125.3 31.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 28.0 m -103.93 118.95 37.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.925 0.393 . . . . 0.0 111.086 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -93.37 123.16 36.47 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.214 177.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -86.31 101.22 12.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 49.3 mt -93.14 99.08 9.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -81.88 126.69 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.2 m -113.17 127.17 56.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.345 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.63 111.72 22.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.654 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tt -86.65 123.32 31.69 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.947 0.403 . . . . 0.0 110.05 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -81.77 107.38 14.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -88.89 106.75 18.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.135 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -110.21 -53.54 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.164 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.82 115.4 7.77 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.614 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -95.1 105.44 17.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 110.625 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -145.71 -150.33 0.32 Allowed 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.12 174.66 2.44 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 170.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.24 72.0 4.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.269 0.557 . . . . 0.0 110.182 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.1 t -54.9 140.68 36.14 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.707 171.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -107.7 140.22 41.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.382 0.611 . . . . 0.0 111.674 -169.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.533 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 1.1 m-85 -97.75 138.54 34.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.88 -1.054 . . . . 0.0 109.532 -175.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 73' ' ' LEU . 81.8 m-85 -125.58 149.9 47.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.76 0.314 . . . . 0.0 110.336 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.542 ' HB ' HD21 ' A' ' 76' ' ' LEU . 16.7 tt -121.77 134.75 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.212 0.53 . . . . 0.0 110.87 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 9.0 ttp180 -153.73 117.39 4.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.166 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -110.45 152.8 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.36 -176.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -122.24 121.03 35.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.951 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -110.96 94.02 19.19 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 94' ' ' THR . 36.8 Cg_endo -67.35 -47.77 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.114 1.876 . . . . 0.0 112.134 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -144.17 120.78 11.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.99 -176.93 30.11 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 89' ' ' SER . . . -153.81 101.75 2.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.921 0.391 . . . . 0.0 110.606 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . -156.89 148.93 19.42 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.895 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.6 m -97.11 111.92 23.93 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -95.02 110.71 22.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.072 0.463 . . . . 0.0 110.522 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -106.74 151.14 25.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.035 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.494 ' SD ' ' HD3' ' A' ' 77' ' ' PRO . 38.1 ttp -96.74 165.07 12.3 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 2.4 p -55.31 -23.62 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.33 -4.69 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.686 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 7.35 76.86 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.8 m -80.38 119.17 22.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.123 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -76.94 112.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.61 152.56 27.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.2 156.06 75.23 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 7.6 Cg_exo -74.09 152.36 45.56 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.723 2.282 . . . . 0.0 112.247 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 94.3 m-20 77.33 -52.68 0.55 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.628 0.771 . . . . 0.0 112.31 177.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.21 165.25 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 48' ' ' PHE . 36.8 tp -119.32 137.4 53.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -167.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 59.3 m-85 -124.24 147.87 56.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.231 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 2.4 Cg_endo -81.98 145.82 14.21 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.942 2.428 . . . . 0.0 112.79 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.542 HD21 ' HB ' ' A' ' 49' ' ' ILE . 87.5 mt -88.08 146.29 38.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.695 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.494 ' HD3' ' SD ' ' A' ' 62' ' ' MET . 58.2 Cg_endo -73.05 -19.95 22.38 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.007 2.472 . . . . 0.0 113.778 -175.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.23 -156.1 27.78 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.532 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -72.28 -47.81 47.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.427 . . . . 0.0 110.93 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -106.42 131.49 53.56 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -156.15 171.87 19.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 55.8 mtt180 -118.83 137.17 53.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.52 -177.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.472 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 79.4 mt -112.76 115.34 28.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 172.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.53 101.55 13.02 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.085 0.469 . . . . 0.0 110.462 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.442 ' CZ ' ' HA3' ' A' ' 58' ' ' GLY . 83.7 t80 -96.16 100.68 12.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.388 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 44.1 m -86.1 109.19 18.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.842 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 40.8 t -67.53 144.16 55.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.794 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.85 13.21 5.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.568 ' HB3' ' HB3' ' A' ' 57' ' ' ALA . 61.3 p -145.0 159.48 42.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.8 t -101.58 -9.43 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.841 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.85 177.54 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.981 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.621 ' HA ' ' HB2' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -70.04 151.18 45.82 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.062 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' A' ' 112' ' ' SER . 88.6 mt-30 -128.04 115.87 19.14 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.421 -176.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 25.9 m -109.64 105.68 15.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.127 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.0 t -121.28 112.87 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.42 110.88 21.97 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.69 121.31 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.979 0.419 . . . . 0.0 110.598 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 40.5 m-85 -94.39 122.72 37.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.591 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -109.34 111.95 23.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.477 ' HB3' HD23 ' A' ' 106' ' ' LEU . 16.1 pt20 -121.8 140.16 52.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.798 -174.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -115.74 158.65 22.51 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.669 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -71.89 -3.78 24.4 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -79.32 -17.83 53.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 109.457 170.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.7 -8.22 34.22 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.65 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.43 142.03 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 110.328 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 100' ' ' GLN . 2.6 tm? -137.83 118.7 14.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.498 -176.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.856 HE22 ' HA ' ' A' ' 14' ' ' SER . 17.3 mt-30 -118.08 112.76 20.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.357 0.599 . . . . 0.0 110.827 174.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -93.3 112.4 24.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.392 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.1 mt -105.46 112.56 25.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.009 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.5 m -92.4 113.41 25.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.121 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -100.78 121.6 41.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.222 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.609 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 10.4 t -121.54 108.69 13.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -96.72 147.91 23.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.898 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.621 ' HB2' ' HA ' ' A' ' 92' ' ' GLN . 89.3 m-20 62.25 88.02 0.1 Allowed 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.832 0.707 . . . . 0.0 109.455 -174.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -65.72 -76.08 0.08 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.042 -171.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 58.8 -81.9 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.693 0.621 . . . . 0.0 110.714 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.6 t 68.72 93.39 0.08 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.135 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.3 p -81.67 -71.05 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 169.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 61.99 20.27 11.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.407 165.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.454 ' HG2' ' HG2' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -77.84 -28.64 50.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.454 ' HG2' ' HG2' ' A' ' 120' ' ' GLU . 14.9 pt-20 -155.26 137.87 15.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.444 175.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 122' ' ' GLU . 1.0 OUTLIER -85.12 84.94 7.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.512 0.672 . . . . 0.0 111.12 -177.711 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.6 tp -145.98 102.85 3.69 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.522 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -173.07 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -81.51 118.01 22.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.784 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -76.91 132.58 39.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -81.0 149.04 29.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.139 -176.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -83.86 173.54 11.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -103.69 105.85 16.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.848 0.356 . . . . 0.0 110.615 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 29.5 t60 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.447 174.271 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -124.72 92.46 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.485 0.66 . . . . 0.0 110.658 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -124.79 -28.33 3.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.216 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -86.41 127.53 34.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.218 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.0 p -87.92 109.49 19.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.592 0.71 . . . . 0.0 111.107 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.18 -20.79 15.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.448 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.9 mt -54.3 122.58 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.616 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -80.74 103.91 10.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.841 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -106.51 1.5 25.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.57 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.5 t -72.85 97.47 2.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -130.02 108.22 16.65 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.222 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.9 -33.65 92.24 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 123.589 2.859 . . . . 0.0 113.268 -175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.609 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 95.5 m-85 -124.29 137.82 54.45 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.594 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.2 m -154.29 156.29 36.71 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' CG ' ' A' ' 99' ' ' PHE . 50.5 mm -112.5 115.34 49.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.319 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.49 116.82 29.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 0.0 110.271 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.485 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 26.8 p -101.8 137.31 40.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.201 -175.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.604 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 85.4 mtp -80.87 144.74 56.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.6 121.53 7.35 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.827 2.351 . . . . 0.0 112.689 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.532 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 33.8 m -83.32 164.89 43.59 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.432 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.532 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 10.9 Cg_endo -55.79 133.11 56.09 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.473 2.115 . . . . 0.0 111.059 173.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -86.9 3.64 44.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.51 126.55 13.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.047 0.451 . . . . 0.0 110.72 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 30' ' ' ALA . 90.0 mt -126.86 140.24 52.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -119.02 168.78 10.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.38 120.92 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.799 0.333 . . . . 0.0 110.73 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.31 -5.56 60.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.308 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -89.45 142.67 27.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.792 0.329 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 31.1 m -108.99 123.78 49.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.039 0.447 . . . . 0.0 110.654 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -95.36 128.27 42.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' CD ' ' HD2' ' A' ' 82' ' ' ARG . 37.0 tt0 -89.61 104.5 17.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.058 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.702 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 55.1 mt -89.96 102.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.8 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 55.7 mtt180 -85.41 119.61 25.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.189 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.69 134.22 55.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.056 -173.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -123.56 114.46 20.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.168 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 9.4 tt -75.77 124.19 26.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.122 0.487 . . . . 0.0 110.586 -178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -102.65 111.19 23.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.229 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' HD3' ' OE2' ' A' ' 79' ' ' GLU . 16.2 ptt180 -122.69 140.23 53.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.71 0.29 . . . . 0.0 110.979 -178.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.73 -23.21 13.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 167.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.05 107.07 1.05 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.197 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 41' ' ' ARG . 17.4 ttm-85 -79.18 79.67 5.59 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.209 0.528 . . . . 0.0 110.489 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -117.38 156.15 28.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.6 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -81.07 73.91 8.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.631 0.253 . . . . 0.0 111.042 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 51.98 79.23 0.11 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.843 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 t -86.84 144.04 27.19 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 171.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.9 130.16 36.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.061 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' HD12 ' A' ' 76' ' ' LEU . 10.7 m-85 -97.51 160.84 14.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.576 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -120.02 135.99 54.72 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.861 0.363 . . . . 0.0 110.4 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.423 ' HB ' HD21 ' A' ' 76' ' ' LEU . 20.3 tt -104.95 137.09 35.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.211 0.529 . . . . 0.0 110.401 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 1.145 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 29.7 tpt180 -128.4 149.84 50.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.002 -174.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.527 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 61.2 m-85 -136.69 158.33 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.942 0.401 . . . . 0.0 111.742 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 91.6 t80 -151.58 130.24 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.258 175.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -132.77 106.82 12.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.431 0.634 . . . . 0.0 111.837 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 5.8 Cg_exo -78.27 -32.34 2.41 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.888 2.392 . . . . 0.0 112.331 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.73 126.46 6.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.729 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.821 ' HA3' ' HG2' ' A' ' 93' ' ' GLN . . . 141.35 169.04 11.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.394 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.62 125.79 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 122.795 0.438 . . . . 0.0 110.332 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.88 163.35 36.78 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.568 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.496 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 40.0 m -112.57 112.55 24.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.527 HD21 ' CZ ' ' A' ' 51' ' ' TYR . 64.9 tp -111.87 123.6 50.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.456 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG2' HG22 ' A' ' 67' ' ' VAL . 56.1 mtmt -134.88 156.0 49.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.189 0.519 . . . . 0.0 110.808 177.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.5 ttm -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.6 t -58.77 -24.99 62.63 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.035 0.445 . . . . 0.0 111.518 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.43 1.37 25.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.359 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.42 11.96 70.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.64 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.0 m -88.11 118.05 27.42 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 122.912 -0.17 . . . . 0.0 110.597 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 61' ' ' LYS . 85.1 t -67.96 131.18 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.526 HD13 ' HE2' ' A' ' 51' ' ' TYR . 70.3 mt -106.72 108.84 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -173.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 89.5 mt -104.8 146.61 32.97 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.459 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 8.1 Cg_exo -73.87 12.0 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.19 2.594 . . . . 0.0 112.622 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -92.39 -30.91 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.01 177.13 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.956 0.408 . . . . 0.0 111.459 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 50' ' ' ARG . 18.6 mt -108.78 136.47 48.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.568 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.2 m-85 -116.4 128.15 26.21 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.459 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 13.5 Cg_exo -69.44 128.17 15.92 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.8 2.333 . . . . 0.0 111.934 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 47' ' ' TYR . 95.6 mt -79.49 118.27 71.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.595 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -81.27 6.76 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.914 2.409 . . . . 0.0 112.278 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.03 165.33 38.06 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.314 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 38.3 mt-10 -106.6 -23.77 12.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -103.62 99.6 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -140.53 173.52 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 111.69 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HD2' ' CD ' ' A' ' 31' ' ' GLU . 85.7 mtm180 -130.02 133.99 47.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.454 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.702 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.4 mt -106.05 125.76 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.933 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -105.22 111.1 23.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.2 0.524 . . . . 0.0 111.177 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -114.49 111.94 22.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.904 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 38.8 m -86.01 111.3 20.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 p -74.31 114.76 13.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 110.706 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.37 21.07 16.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.301 0.572 . . . . 0.0 110.43 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.4 m -115.69 145.83 42.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.56 -16.53 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.197 0.522 . . . . 0.0 110.317 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -116.06 -166.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.97 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 3.8 pt20 -63.12 152.41 37.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.128 0.489 . . . . 0.0 111.653 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.821 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 0.1 OUTLIER -145.75 118.55 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.13 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.0 m -102.35 121.78 42.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.992 0.425 . . . . 0.0 111.416 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.0 t -111.0 112.8 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.856 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.537 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 7.0 t70 -91.91 111.48 23.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.2 t -108.45 129.33 63.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.637 -171.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 1.145 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 68.4 m-85 -113.98 130.3 56.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.156 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 15' ' ' ILE . 97.4 m-85 -113.42 111.65 22.31 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -115.56 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 0.0 111.42 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.33 164.7 14.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.052 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 t -62.45 -31.79 72.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -79.49 -24.83 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.57 0.224 . . . . 0.0 110.622 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 122.16 12.6 5.22 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.329 -0.938 . . . . 0.0 113.486 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.609 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 6.7 tp60 -75.75 119.69 20.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 98' ' ' TYR . 45.0 tp -117.04 125.85 51.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.028 -173.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -109.94 128.67 55.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.184 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -108.19 116.91 32.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.453 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 109.22 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.685 176.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.2 m -97.03 117.59 31.54 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.397 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.0 m-85 -103.82 117.84 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 p -118.37 108.22 14.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.1 0.476 . . . . 0.0 110.285 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 92.2 m-85 -87.26 96.92 10.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -133.69 -72.81 0.49 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.482 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -140.59 -26.97 0.74 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -93.51 123.28 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.4 t -117.93 115.18 24.39 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.5 m 70.04 91.14 0.09 Allowed 'General case' 0 CA--C 1.531 0.239 0 O-C-N 124.044 0.84 . . . . 0.0 111.562 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.9 tptp -80.92 104.63 11.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.207 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 122' ' ' GLU . 9.8 tp10 -157.76 142.51 16.5 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -103.06 23.83 11.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.993 0.425 . . . . 0.0 110.286 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 120' ' ' GLU . 19.4 mm-40 68.16 -85.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.96 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.0 tp 57.9 39.27 26.88 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.262 0.553 . . . . 0.0 109.908 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 74.51 153.27 0.14 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.591 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -93.17 -141.18 0.21 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.554 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -73.5 76.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 0.0 110.79 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 179.85 71.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -67.64 -52.57 36.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.107 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -162.58 -45.84 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.6 m80 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.33 173.182 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.834 0.35 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -126.22 16.99 7.78 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -77.37 -43.38 33.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.411 -175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.08 118.35 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.169 0.918 . . . . 0.0 112.206 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t 69.05 -81.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.195 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -179.78 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.4 pt -128.19 160.63 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.645 176.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' A' ' 8' ' ' GLN . 1.3 mp0 -97.34 98.59 10.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.978 0.418 . . . . 0.0 110.506 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -114.4 -3.59 13.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.319 0.58 . . . . 0.0 109.501 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -99.27 113.21 25.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.481 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -143.91 116.07 5.67 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.175 0.512 . . . . 0.0 110.823 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -96.01 -175.42 0.31 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.602 2.868 . . . . 0.0 111.419 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -98.62 138.29 36.02 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.62 -0.432 . . . . 0.0 109.914 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -96.73 112.92 24.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.772 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.467 HD12 ' HG3' ' A' ' 107' ' ' GLN . 55.1 mt -108.92 110.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 152.96 26.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.404 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' SG ' ' A' ' 34' ' ' CYS . 23.1 p -119.41 139.27 52.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.202 -177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 96.5 mmm -75.59 126.01 87.91 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.81 126.58 13.02 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.813 3.009 . . . . 0.0 113.923 -171.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.36 158.78 54.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.245 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -68.41 146.93 70.22 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.316 2.011 . . . . 0.0 112.024 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -84.61 -27.23 27.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 0.0 109.951 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -107.0 122.88 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.251 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.11 107.64 14.74 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.638 0.732 . . . . 0.0 111.269 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 50.5 tptt -68.43 148.79 50.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.605 176.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -64.95 111.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.83 4.1 48.79 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.512 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 8.6 tp10 -82.46 151.34 26.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 110.525 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -114.79 111.29 21.01 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.47 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 85' ' ' TYR . . . -82.77 97.63 8.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.517 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -79.62 109.63 14.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.643 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 32.1 mt -106.46 99.12 7.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -88.78 118.49 28.5 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.98 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' SG ' HG22 ' A' ' 17' ' ' THR . 33.4 m -116.38 145.06 43.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.754 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.592 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 53.1 tt0 -136.11 127.24 28.01 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.195 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 tt -94.87 123.45 38.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.187 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -101.79 112.84 25.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.524 ' NH1' ' HA ' ' A' ' 43' ' ' GLU . 6.3 ptp85 -107.09 130.93 54.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 176.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.87 -20.56 28.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.137 0.494 . . . . 0.0 109.937 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.92 121.2 6.52 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.575 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -77.98 84.27 4.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.988 0.423 . . . . 0.0 111.389 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -163.55 121.74 1.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.562 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 11.9 pt-20 -98.49 -9.08 25.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.328 . . . . 0.0 111.45 -176.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -83.0 66.12 8.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.456 0.646 . . . . 0.0 110.738 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.1 m -152.56 120.06 6.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.762 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -90.5 137.24 32.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.674 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.715 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 47.7 m-85 -100.99 161.37 13.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.494 ' HB3' HD11 ' A' ' 73' ' ' LEU . 96.3 m-85 -131.54 143.87 50.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.705 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.419 ' HB ' HD21 ' A' ' 76' ' ' LEU . 13.5 tt -122.38 136.05 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.042 0.448 . . . . 0.0 110.673 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -150.05 117.33 6.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.696 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.532 ' O ' ' HA ' ' A' ' 70' ' ' PRO . 7.0 p90 -108.06 147.97 30.43 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.936 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -117.06 126.36 52.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.526 ' HB2' ' HE2' ' A' ' 51' ' ' TYR . 59.6 tt0 -126.94 79.19 73.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 -175.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.56 -15.15 7.55 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.558 2.172 . . . . 0.0 112.114 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.83 100.76 4.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.221 -171.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.667 ' HA3' ' HG3' ' A' ' 93' ' ' GLN . . . 136.41 -178.97 18.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.871 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.43 -174.73 3.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.63 -163.57 12.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.421 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.7 m -147.64 131.82 17.39 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.22 0.208 . . . . 0.0 110.474 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.5 tp -112.7 124.53 52.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.883 0.373 . . . . 0.0 110.524 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -120.75 155.81 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.6 ttm -94.64 165.91 12.28 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.6 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 11.9 p -54.92 -28.02 47.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.43 5.0 37.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.265 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.37 0.86 86.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.117 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -72.71 118.18 15.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.484 0.183 . . . . 0.0 110.812 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.15 130.95 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.81 149.59 21.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 95.4 mt -122.07 148.72 52.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.405 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.532 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.0 Cg_exo -65.4 128.48 20.38 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.84 2.36 . . . . 0.0 112.577 -178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 67.33 14.25 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.738 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.13 126.57 52.37 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 48' ' ' PHE . 20.9 tp -88.72 112.49 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.148 0.499 . . . . 0.0 111.266 -172.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -106.93 149.95 39.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.29 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.42 149.94 19.31 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.255 1.97 . . . . 0.0 112.621 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.715 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.9 mt -99.04 122.33 52.8 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.084 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.18 6.02 5.87 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.998 2.465 . . . . 0.0 113.544 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.97 179.25 48.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.386 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 35' ' ' GLN . 25.7 mt-10 -100.48 -23.7 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.171 0.51 . . . . 0.0 109.949 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 34.7 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.197 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -71.77 151.38 43.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.345 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -120.62 136.09 54.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.9 mt -104.17 140.4 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.663 0.268 . . . . 0.0 110.644 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.6 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 66.3 m-85 -110.65 101.53 10.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 69.0 t80 -96.83 128.1 43.46 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.571 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.7 m -106.8 125.6 51.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.798 0.332 . . . . 0.0 110.771 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -99.01 133.76 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.71 10.11 10.92 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.3 t -164.63 -172.58 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.523 ' HA ' ' ND2' ' A' ' 114' ' ' ASN . 14.8 t -130.2 7.39 5.02 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.733 ' HB3' ' HB3' ' A' ' 116' ' ' ASP . 1.5 t70 -82.41 177.31 8.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.617 -0.677 . . . . 0.0 111.315 -176.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -75.7 127.53 33.24 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.882 0.373 . . . . 0.0 111.52 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.667 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 6.9 tt0 -129.59 146.8 51.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.371 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -128.7 114.52 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.253 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.1 t -120.13 128.39 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.746 0.307 . . . . 0.0 111.396 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.3 111.39 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 173.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.6 t -104.16 116.39 47.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.533 ' HD2' HD13 ' A' ' 106' ' ' LEU . 86.5 m-85 -103.03 125.19 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 61.8 m-85 -109.5 111.76 23.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 171.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.77 146.28 39.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -172.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -114.35 178.84 4.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.608 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -71.5 -18.95 62.26 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.472 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 87.5 t80 -79.51 -20.52 47.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.113 0.482 . . . . 0.0 110.31 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.4 1.18 43.94 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.572 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -78.1 114.42 16.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.533 HD13 ' HD2' ' A' ' 98' ' ' TYR . 3.4 pp -117.72 139.29 51.24 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.207 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.467 ' HG3' HD12 ' A' ' 15' ' ' ILE . 14.9 mm100 -109.2 109.55 20.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -95.96 116.15 28.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.659 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.407 HD12 ' HE2' ' A' ' 99' ' ' PHE . 73.5 mt -105.22 120.18 40.89 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.439 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.2 m -92.84 114.97 27.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.073 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -109.75 119.46 39.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.2 t -92.51 107.78 19.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -105.54 163.22 12.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.331 0.586 . . . . 0.0 111.639 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.523 ' ND2' ' HA ' ' A' ' 90' ' ' THR . 7.9 t30 -102.77 82.64 2.15 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.506 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 34.3 t30 179.21 101.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.796 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.733 ' HB3' ' HB3' ' A' ' 91' ' ' ASP . 13.6 t70 -155.97 153.77 30.08 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.8 m 65.85 92.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.712 0.633 . . . . 0.0 110.948 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -103.27 144.9 30.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.489 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -77.43 114.9 16.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.841 0.353 . . . . 0.0 110.754 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -88.11 54.07 2.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.622 0.725 . . . . 0.0 109.269 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -84.95 20.99 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.664 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -84.52 178.79 7.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.325 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 126' ' ' HIS . 98.8 mt -64.11 129.48 40.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.111 175.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.64 -47.55 83.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.091 0.472 . . . . 0.0 110.491 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.648 ' HB3' ' HE1' ' A' ' 128' ' ' HIS . 85.9 m-70 -87.05 57.52 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.512 0.672 . . . . 0.0 109.875 176.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 123' ' ' LEU . 49.4 t-80 -77.47 156.27 31.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.295 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 79.9 t60 72.26 65.04 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.62 0.724 . . . . 0.0 110.731 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.648 ' HE1' ' HB3' ' A' ' 125' ' ' HIS . 8.3 m80 -109.67 174.08 6.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.378 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -81.0 152.95 27.7 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.918 0.39 . . . . 0.0 110.504 -176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.349 177.642 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.66 0.267 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.428 ' O ' ' HB3' ' A' ' 3' ' ' ASP . 52.1 t-20 -81.48 103.61 11.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.275 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 2' ' ' ASN . 16.8 t70 73.56 -45.87 0.62 Allowed 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.855 0.722 . . . . 0.0 111.508 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -98.89 131.04 45.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.366 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.2 p 41.05 83.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 122.346 1.069 . . . . 0.0 112.242 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.93 -158.42 0.55 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.088 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' O ' HG13 ' A' ' 7' ' ' ILE . 11.4 tp -104.17 -0.09 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 120.966 0.413 . . . . 0.0 111.927 -171.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.446 HE21 ' HB2' ' A' ' 8' ' ' GLN . 12.0 mt-30 -73.19 115.36 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.998 0.428 . . . . 0.0 110.512 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.49 133.63 45.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.659 -177.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.1 p -123.92 -77.9 0.6 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.335 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CD1' ' HG3' ' A' ' 41' ' ' ARG . 36.1 m-85 -78.97 -47.37 1.68 Allowed Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.418 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HA ' ' CE2' ' A' ' 103' ' ' PHE . 62.0 Cg_exo -41.95 118.12 0.87 Allowed 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 122.903 2.402 . . . . 0.0 113.465 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.9 139.14 50.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.255 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.5 t -119.5 128.04 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.006 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 36' ' ' LEU . 54.8 mt -92.34 119.98 40.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -94.52 141.87 28.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -125.53 141.48 52.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.905 0.383 . . . . 0.0 111.295 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.478 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.1 mpt? -77.78 130.68 72.63 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.716 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -59.18 144.04 99.54 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.207 2.605 . . . . 0.0 112.863 -175.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.31 155.28 63.29 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.446 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.83 151.29 74.19 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.423 2.082 . . . . 0.0 111.307 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -89.2 9.83 24.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.913 0.387 . . . . 0.0 110.007 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -135.91 111.91 9.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 30' ' ' ALA . 32.2 mt -133.83 131.31 39.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.286 0.565 . . . . 0.0 111.299 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' GLU . 4.6 ttmp? -92.41 153.84 18.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.083 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.24 123.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -1.65 66.14 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.726 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 29.5 tt0 -94.16 154.75 17.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 m -113.42 142.28 46.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -125.8 119.24 27.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.937 175.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 9.4 pt-20 -81.74 103.84 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.794 0.807 . . . . 0.0 111.072 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -84.05 99.51 6.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.278 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.441 ' HB2' ' HB2' ' A' ' 18' ' ' MET . 28.1 mtp180 -76.07 133.76 40.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.247 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 m -130.47 127.39 39.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.909 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.499 ' HG3' HG22 ' A' ' 80' ' ' THR . 48.4 tt0 -127.26 112.55 15.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.082 0.468 . . . . 0.0 110.364 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . 8.0 tt -78.89 124.5 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.795 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -75.57 113.32 12.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.193 0.52 . . . . 0.0 109.929 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -100.47 117.64 35.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.362 -171.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' OD2' ' HG2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -86.51 -47.81 8.93 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.684 -178.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.14 -1.23 4.53 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.637 -0.792 . . . . 0.0 114.018 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.493 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 9.5 mmm180 -83.82 102.97 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.53 0.665 . . . . 0.0 110.411 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.552 ' CE2' ' HD1' ' A' ' 103' ' ' PHE . 24.3 p90 36.6 58.35 1.07 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 122.337 1.065 . . . . 0.0 111.802 -172.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.94 -5.81 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.783 -1.553 . . . . 0.0 112.53 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -84.19 16.02 3.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 0.0 110.893 -175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 45' ' ' THR . 2.9 t -73.23 153.68 40.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.755 177.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -87.16 131.15 34.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 10.9 m-85 -103.05 130.0 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' HB3' HD11 ' A' ' 73' ' ' LEU . 95.9 m-85 -119.85 148.32 43.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.93 0.395 . . . . 0.0 111.319 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.45 ' HB ' HD21 ' A' ' 76' ' ' LEU . 11.0 tt -121.07 138.08 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -155.07 112.81 3.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.459 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -110.4 161.44 15.65 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.297 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -130.36 136.39 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.298 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.625 HE21 ' HB3' ' A' ' 55' ' ' ASP . 52.4 tt0 -124.63 111.63 27.67 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.279 -178.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.606 ' HD2' ' O ' ' A' ' 94' ' ' THR . 39.3 Cg_exo -61.95 -31.69 84.48 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.498 2.132 . . . . 0.0 111.448 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.625 ' HB3' HE21 ' A' ' 53' ' ' GLN . 19.3 t70 -71.86 160.55 32.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.673 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -111.11 8.12 29.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.276 -0.964 . . . . 0.0 114.133 -172.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.69 104.41 4.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.951 0.876 . . . . 0.0 112.222 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.3 154.92 15.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.5 m -140.36 112.52 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.564 0.682 . . . . 0.0 111.47 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 83' ' ' LEU . 57.2 tp -98.4 126.29 43.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HE2' HG22 ' A' ' 67' ' ' VAL . 96.2 mttt -116.59 153.5 32.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.04 0.447 . . . . 0.0 110.62 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.5 ttm -88.29 160.34 17.7 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.68 ' HB3' ' HG3' ' A' ' 82' ' ' ARG . 3.2 p -48.87 -34.0 11.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 176.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.13 -23.35 62.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.374 . . . . 0.0 111.521 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.82 -6.08 25.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.781 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.8 m -64.23 120.05 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.099 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.426 HG22 ' HE2' ' A' ' 61' ' ' LYS . 96.6 t -76.97 125.68 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.5 mt -95.24 126.41 40.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -94.52 146.05 30.78 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' ASN . 26.3 Cg_endo -62.98 140.81 81.18 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.38 2.054 . . . . 0.0 111.864 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 12.7 m120 73.6 -5.79 1.92 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.622 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -93.83 156.99 16.35 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 48' ' ' PHE . 28.3 tp -111.71 125.9 54.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.067 0.461 . . . . 0.0 110.999 -173.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 79.4 m-85 -125.77 144.83 49.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.277 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 3.8 Cg_exo -82.03 142.16 12.2 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.829 2.353 . . . . 0.0 112.063 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.45 HD21 ' HB ' ' A' ' 49' ' ' ILE . 96.9 mt -83.66 142.96 43.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.26 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.1 -8.39 22.76 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.8 2.333 . . . . 0.0 113.481 -175.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.31 -173.01 34.81 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.97 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.59 -38.86 87.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.371 . . . . 0.0 111.119 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.499 HG22 ' HG3' ' A' ' 35' ' ' GLN . 11.5 p -107.08 116.5 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -155.07 -174.22 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.68 ' HG3' ' HB3' ' A' ' 63' ' ' SER . 3.3 ptp85 -147.82 144.89 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.948 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' HB3' HD11 ' A' ' 60' ' ' LEU . 95.8 mt -110.78 119.54 39.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.075 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 82.1 m-85 -87.33 97.62 10.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.85 0.357 . . . . 0.0 110.195 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -80.67 123.84 28.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.298 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.2 m -98.84 110.13 22.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.157 174.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 8.6 m -72.8 110.17 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.198 -175.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.03 -16.68 24.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.1 m -136.76 143.02 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.644 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.8 m -105.37 -2.05 24.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -69.27 176.62 3.21 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.986 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.644 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . 34.3 tt0 -75.02 102.3 4.79 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.454 0.645 . . . . 0.0 110.382 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 112' ' ' SER . 18.1 pt20 -117.15 148.39 41.62 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.259 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.606 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 28.3 m -124.73 118.83 27.31 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.003 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.64 123.68 72.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.035 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -109.54 111.28 22.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.2 t -103.34 122.26 55.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -100.99 125.15 47.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.929 0.395 . . . . 0.0 110.429 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 90.2 m-85 -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 29.0 pt20 -131.73 143.09 50.0 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -133.7 172.19 13.11 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.466 -178.072 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -75.65 -11.52 60.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.75 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.552 ' HD1' ' CE2' ' A' ' 42' ' ' PHE . 53.0 t80 -78.38 -24.18 46.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.118 0.485 . . . . 0.0 109.805 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.46 6.83 12.82 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.986 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 6.1 tt0 -70.8 135.05 47.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' ' 99' ' ' PHE . 54.3 tp -146.03 114.3 6.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 172.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.72 129.08 47.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.239 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.51 113.64 27.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.254 0.549 . . . . 0.0 110.014 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.405 HD12 ' HE2' ' A' ' 99' ' ' PHE . 61.2 mt -103.93 109.29 20.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.355 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -103.43 113.69 27.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.203 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -119.85 128.69 53.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 110.989 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 7.8 p -122.71 141.18 52.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.579 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.541 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 80.6 m-85 -113.0 164.78 13.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.644 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . 22.5 t-20 77.4 127.25 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.36 1.038 . . . . 0.0 112.419 173.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -143.56 39.33 1.4 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -130.01 141.89 50.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.866 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.4 m 63.63 -177.49 0.16 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.326 0.584 . . . . 0.0 111.694 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' A' ' 121' ' ' GLU . 42.1 m -146.92 -74.38 0.21 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.514 174.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 32.3 ttmt 66.71 10.33 7.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.902 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 59.16 72.65 0.52 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.491 0.663 . . . . 0.0 109.263 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 121' ' ' GLU . 1.5 mp0 -56.51 124.31 17.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.645 -1.162 . . . . 0.0 112.201 -171.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.75 112.26 25.16 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 171.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.9 mp -84.14 110.18 18.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.998 0.427 . . . . 0.0 110.087 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -86.25 101.91 13.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.598 0.713 . . . . 0.0 111.167 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -145.45 25.08 1.37 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -94.96 -79.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.172 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 54.6 -167.66 0.08 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.47 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -132.78 155.45 48.89 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -88.87 29.29 1.04 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.508 0.194 . . . . 0.0 110.769 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 46.1 m80 . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.236 -175.289 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' O ' ' HG3' ' A' ' 1' ' ' MET . 18.6 ptp . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.899 0.38 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 3' ' ' ASP . 3.5 p-10 -161.3 -168.44 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.352 -0.218 . . . . 0.0 111.195 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 46.0 m-20 80.01 -70.29 0.09 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.213 1.005 . . . . 0.0 110.681 -178.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 57.1 -96.49 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.578 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 m -139.38 -0.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.125 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -97.58 124.89 42.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.295 0.569 . . . . 0.0 111.704 -172.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.8 mt -132.89 -56.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.267 -0.878 . . . . 0.0 108.94 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -173.53 -50.48 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.557 -1.201 . . . . 0.0 107.917 173.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.666 ' HG3' HE22 ' A' ' 105' ' ' GLN . 0.4 OUTLIER -70.1 -53.3 17.99 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.692 174.359 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.8 m 58.9 11.63 1.98 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.335 170.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 50.36 81.94 0.25 Allowed Pre-proline 0 N--CA 1.467 0.393 0 C-N-CA 123.1 0.56 . . . . 0.0 111.28 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.17 11.88 2.48 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.869 2.379 . . . . 0.0 113.469 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' HE1' ' HB3' ' A' ' 105' ' ' GLN . 6.4 p90 -119.4 139.47 51.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.839 0.352 . . . . 0.0 110.131 177.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p -119.22 133.79 55.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 110.956 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.9 mt -102.98 115.49 45.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.049 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -85.73 115.58 23.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.843 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.428 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.6 p -108.25 121.85 45.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.665 0.269 . . . . 0.0 110.975 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.24 135.04 94.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.512 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.12 116.1 2.81 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.067 2.511 . . . . 0.0 112.421 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -79.74 162.79 61.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.985 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.16 125.82 15.93 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.202 1.935 . . . . 0.0 111.211 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -76.59 -27.06 55.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.019 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -103.51 113.05 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.835 0.35 . . . . 0.0 110.229 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.1 mt -132.05 152.94 50.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.105 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 87' ' ' SER . 99.6 mttt -122.86 166.09 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.86 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' A' ' 88' ' ' ALA . 59.9 t -67.57 111.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.02 -10.26 24.98 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.165 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 86' ' ' THR . 65.2 mm-40 -83.93 141.46 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.529 0.204 . . . . 0.0 110.542 178.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.3 m -113.9 123.18 49.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.27 126.59 52.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.432 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -86.1 99.55 11.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 39.5 mt -88.25 99.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.633 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.6 ttt180 -86.54 123.54 31.85 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.968 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 30.6 m -116.93 126.39 52.88 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -110.92 112.32 24.07 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 115.76 21.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.448 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -82.42 118.86 23.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.137 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.585 ' HD3' ' OH ' ' A' ' 47' ' ' TYR . 20.9 mtm180 -102.6 135.79 43.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.106 0.479 . . . . 0.0 111.881 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.96 -23.79 67.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.418 170.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.14 -146.88 18.36 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 67.96 -66.16 0.23 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.227 0.611 . . . . 0.0 112.409 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -88.39 101.37 13.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.853 0.359 . . . . 0.0 110.627 -176.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -81.58 98.93 8.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.011 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 51.45 73.39 0.31 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.356 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 t -99.96 -169.64 1.77 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.973 -177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -83.53 107.08 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.978 0.418 . . . . 0.0 110.836 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.857 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 67.5 m-85 -98.45 145.12 27.07 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 173.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.645 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 60.5 m-85 -121.67 135.27 54.97 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.652 0.263 . . . . 0.0 111.111 -174.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tt -126.86 135.02 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.304 0.573 . . . . 0.0 111.297 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HD2' HD12 ' A' ' 73' ' ' LEU . 2.9 ptm180 -153.18 137.9 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 172.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.3 p90 -111.8 144.43 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.504 -176.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -120.63 144.42 48.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -133.13 103.24 12.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.84 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.483 ' HD2' ' O ' ' A' ' 94' ' ' THR . 31.9 Cg_exo -59.55 -47.16 17.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.957 1.772 . . . . 0.0 110.318 173.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.41 122.69 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.988 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.474 ' HA3' ' HB2' ' A' ' 93' ' ' GLN . . . 148.67 174.1 20.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.539 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.5 127.55 4.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 111.248 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' HA3' ' CE1' ' A' ' 85' ' ' TYR . . . -169.9 165.98 39.27 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.822 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.442 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 33.7 m -103.81 111.6 24.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' ' 83' ' ' LEU . 42.6 tp -106.43 119.2 38.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.391 . . . . 0.0 110.416 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.63 145.38 43.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.181 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.4 ttp -83.91 157.78 21.83 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.454 ' HB2' ' H ' ' A' ' 82' ' ' ARG . 22.7 t -47.37 -31.61 4.15 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.77 -12.02 59.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.866 0.365 . . . . 0.0 111.0 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.57 -7.75 30.13 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 m -66.68 119.85 12.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.899 0.381 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.7 t -73.49 121.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.443 HD12 ' HG ' ' A' ' 60' ' ' LEU . 70.8 mt -89.68 117.58 28.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.347 -175.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.26 147.23 40.02 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.011 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 -5.36 13.59 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.925 2.416 . . . . 0.0 112.26 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -75.06 -29.76 60.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.364 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -127.05 173.42 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.628 0.727 . . . . 0.0 112.014 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.516 HD12 ' HD2' ' A' ' 50' ' ' ARG . 6.5 tt -127.41 132.61 50.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.195 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 98.8 m-85 -118.43 150.59 48.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.423 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 7.7 Cg_endo -89.1 132.64 2.31 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.411 2.741 . . . . 0.0 112.963 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.857 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 93.4 mt -80.68 127.68 74.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.317 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.83 -36.52 2.04 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.695 2.263 . . . . 0.0 114.042 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.69 176.94 22.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.236 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 2.9 mp0 -68.26 -37.26 80.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.211 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.0 t -97.81 93.06 6.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 110.42 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 17.5 p90 -112.88 131.61 55.65 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.36 0.6 . . . . 0.0 110.068 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.454 ' H ' ' HB2' ' A' ' 63' ' ' SER . 53.4 mtm-85 -110.47 125.64 53.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 60' ' ' LEU . 80.1 mt -102.19 115.35 30.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -90.0 100.72 13.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.045 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.522 ' CE1' ' HA3' ' A' ' 58' ' ' GLY . 84.6 t80 -99.47 110.36 22.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.004 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.442 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 45.6 m -92.6 113.91 26.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.315 172.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 17.8 m -65.34 135.68 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.909 -175.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -124.74 6.8 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -139.79 168.24 20.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.353 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 t -125.89 -23.54 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -78.23 165.72 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -56.34 111.98 1.12 Allowed 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.441 0.463 . . . . 0.0 111.16 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.474 ' HB2' ' HA3' ' A' ' 56' ' ' GLY . 23.3 pt20 -119.36 151.08 39.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.248 0.547 . . . . 0.0 110.945 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.483 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 61.4 m -130.7 116.62 18.29 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.26 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -116.67 107.34 22.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.329 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 11.5 p-10 -103.44 113.28 26.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.7 0.762 . . . . 0.0 110.523 177.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 40.5 t -94.41 135.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.637 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.531 ' HB3' HD11 ' A' ' 106' ' ' LEU . 27.8 m-85 -104.51 121.16 42.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.68 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.408 ' HE2' HD12 ' A' ' 109' ' ' LEU . 73.0 m-85 -109.87 126.32 53.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.929 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.645 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 9.7 tt0 -122.72 154.63 37.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -125.4 178.26 5.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.894 0.378 . . . . 0.0 111.031 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.8 m -77.54 -7.66 56.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.621 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -86.22 -14.31 44.29 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.28 14.8 29.58 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.052 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.666 HE22 ' HG3' ' A' ' 9' ' ' GLN . 15.0 mm-40 -86.42 144.23 27.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 98' ' ' TYR . 31.5 tp -136.53 115.78 12.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.78 177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -125.77 124.69 41.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.984 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 3.3 pt20 -105.3 142.45 35.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.491 . . . . 0.0 110.892 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.408 HD12 ' HE2' ' A' ' 99' ' ' PHE . 89.7 mt -120.54 118.5 30.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.551 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 12.1 m -95.05 116.06 28.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.171 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -109.33 119.66 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 57.7 p -92.65 117.83 30.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -109.65 143.37 39.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 39.44 49.86 1.97 Allowed 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.506 1.129 . . . . 0.0 113.073 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 118' ' ' SER . 3.3 m-20 -72.78 -20.5 61.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 176.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.7 t70 62.84 -92.24 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.422 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.8 m -121.09 1.38 10.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.012 0.434 . . . . 0.0 110.757 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 35.0 m -91.48 96.65 10.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.107 0.48 . . . . 0.0 110.256 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.648 ' H ' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -113.36 25.6 11.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.399 0.619 . . . . 0.0 109.91 179.657 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.43 132.24 45.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.883 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.49 60.47 3.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.479 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 59.13 97.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.484 HD22 ' H ' ' A' ' 123' ' ' LEU . 3.1 mm? -56.17 -61.11 2.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.794 -177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -86.77 65.92 9.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -54.43 108.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.51 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -127.84 -24.95 3.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.442 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -95.64 85.06 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -132.05 5.03 4.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -165.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.4 p80 46.03 -159.94 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.532 0.52 . . . . 0.0 111.632 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.663 173.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.583 ' HB2' ' OD2' ' A' ' 3' ' ' ASP . 22.7 mmt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -19.36 52.75 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.219 0.533 . . . . 0.0 110.87 176.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.583 ' OD2' ' HB2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -62.7 -19.34 63.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.085 172.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.4 t70 66.9 110.56 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.159 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -96.23 113.63 31.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -91.82 -153.78 0.34 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.582 -175.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -62.75 -30.2 48.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.051 0.453 . . . . 0.0 110.117 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -64.86 129.6 40.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.343 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -96.08 165.88 12.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.014 0.435 . . . . 0.0 111.16 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -101.53 -3.34 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.891 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 60.23 85.15 0.19 Allowed Pre-proline 0 C--N 1.333 -0.116 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.109 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -89.18 150.97 5.61 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.952 2.435 . . . . 0.0 111.939 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 97.8 m-85 -85.26 138.68 32.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.298 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 t -150.14 170.54 18.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.392 -176.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG12 ' HA ' ' A' ' 36' ' ' LEU . 35.1 mt -132.44 133.95 59.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.998 0.427 . . . . 0.0 110.787 -175.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.32 150.98 22.78 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.418 HG22 ' SG ' ' A' ' 34' ' ' CYS . 19.6 p -130.69 157.44 42.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.847 0.356 . . . . 0.0 111.416 -174.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.414 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 65.3 mtt -94.04 124.4 56.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 57.3 Cg_exo -53.35 135.98 61.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.383 2.722 . . . . 0.0 113.649 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG11 HG12 ' A' ' 32' ' ' ILE . 35.5 m -95.63 165.86 15.77 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.106 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -61.18 151.95 75.26 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.762 2.308 . . . . 0.0 111.583 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 114' ' ' ASN . 0.3 OUTLIER -97.13 -17.26 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.83 0.348 . . . . 0.0 110.749 -176.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.712 ' HE3' ' HB3' ' A' ' 114' ' ' ASN . 29.1 mmtp -137.44 118.71 14.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 176.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD23 ' HG3' ' A' ' 28' ' ' GLU . 5.1 mp -125.08 169.12 12.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.35 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -90.94 161.04 15.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.031 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.29 112.69 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.72 -8.99 25.83 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' HG3' HD23 ' A' ' 24' ' ' LEU . 12.4 tp10 -82.51 143.94 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.9 m -124.95 121.43 34.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.034 0.445 . . . . 0.0 110.902 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.504 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -96.1 126.85 41.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.404 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.93 101.98 14.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 0.0 110.623 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.534 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 23.4 mt -83.52 98.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -83.12 120.23 25.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 17' ' ' THR . 31.9 m -117.65 134.47 54.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.946 -172.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.473 ' OE1' HG23 ' A' ' 80' ' ' THR . 15.2 mm100 -122.86 121.5 36.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HA ' HG12 ' A' ' 15' ' ' ILE . 1.1 tp -82.36 138.57 34.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.429 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 83.6 t60 -90.66 102.96 15.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.865 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 23.3 tpp180 -119.58 106.65 12.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.51 -177.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -91.73 -63.67 1.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.491 ' O ' ' HD2' ' A' ' 38' ' ' ARG . . . -68.0 103.72 1.04 Allowed Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -74.94 132.18 41.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.082 0.468 . . . . 0.0 111.048 -175.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -144.53 -55.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.683 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 73.38 -34.13 0.28 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.874 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.54 -27.52 69.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.411 0.624 . . . . 0.0 109.429 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m -61.98 113.99 3.13 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.373 172.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.37 142.1 28.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.438 0.637 . . . . 0.0 111.858 -169.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.693 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 25.5 m-85 -98.63 128.21 44.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.303 -177.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.521 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 97.6 m-85 -119.64 123.44 43.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.97 0.414 . . . . 0.0 110.652 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.8 tt -109.74 139.95 30.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.66 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' HB2' HD23 ' A' ' 73' ' ' LEU . 15.8 ttp180 -154.46 134.71 13.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.301 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -108.19 150.42 27.28 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.97 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -105.15 132.45 51.36 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' NE2' ' HB3' ' A' ' 57' ' ' ALA . 5.8 tp60 -117.89 83.03 17.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.68 -175.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -83.82 -16.17 6.67 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.588 2.192 . . . . 0.0 111.92 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -118.27 160.62 21.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.417 -171.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.37 77.49 2.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.154 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HA ' ' HG2' ' A' ' 93' ' ' GLN . . . -106.15 -159.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.463 0.173 . . . . 0.0 111.036 -178.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.73 -146.59 18.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.488 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 m -105.08 141.07 37.3 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.235 0.214 . . . . 0.0 111.068 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -117.12 117.88 30.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -113.67 152.63 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.566 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.404 ' SD ' ' HB ' ' A' ' 66' ' ' THR . 62.1 mtp -86.81 163.65 17.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.992 176.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.452 ' HB2' ' H ' ' A' ' 82' ' ' ARG . 13.2 t -53.6 -28.04 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 110.999 175.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.97 -14.21 61.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.46 6.98 69.97 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -172.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.404 ' HB ' ' SD ' ' A' ' 62' ' ' MET . 63.5 m -80.76 130.49 35.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.573 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.1 t -85.07 127.64 39.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 0.0 110.176 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.5 mt -86.43 142.72 28.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.569 -176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -113.35 133.53 22.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.21 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.02 62.3 8.48 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.695 2.263 . . . . 0.0 113.196 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -155.59 -51.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.169 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.17 175.44 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.533 HD23 ' HB2' ' A' ' 50' ' ' ARG . 93.2 mt -101.68 129.35 47.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 111.629 -174.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 37.7 m-85 -105.76 132.59 20.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.573 176.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 14.1 Cg_exo -69.98 129.84 18.06 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 111.929 176.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.693 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 78.7 mt -71.91 143.91 87.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.294 176.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.87 -15.42 50.31 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.849 2.366 . . . . 0.0 112.293 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.49 -147.36 9.82 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 121.087 -0.578 . . . . 0.0 111.785 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -121.17 -5.57 9.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.523 . . . . 0.0 110.526 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.473 HG23 ' OE1' ' A' ' 35' ' ' GLN . 51.7 m -120.96 103.99 9.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 169.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -152.99 172.73 16.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 111.632 -173.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' H ' ' HB2' ' A' ' 63' ' ' SER . 0.1 OUTLIER -123.07 145.83 48.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.024 177.123 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.534 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 97.8 mt -114.55 118.4 33.64 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -94.8 104.58 16.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.119 0.485 . . . . 0.0 110.971 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.476 ' OH ' ' HB1' ' A' ' 57' ' ' ALA . 88.5 t80 -94.11 112.19 23.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.218 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.2 m -92.11 111.62 23.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.092 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.6 t -66.88 109.35 2.89 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.65 11.28 12.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.948 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -122.24 142.29 50.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.176 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 p -86.82 -21.47 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.642 0.734 . . . . 0.0 109.571 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -86.37 172.57 10.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.912 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.59 144.19 52.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' A' ' 57' ' ' ALA . 47.3 mt-30 -121.2 123.77 43.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.995 0.426 . . . . 0.0 111.149 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 m -122.87 120.27 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.216 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.37 128.07 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.58 0.229 . . . . 0.0 111.112 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -102.43 112.36 25.05 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.389 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.37 123.31 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.732 0.301 . . . . 0.0 110.772 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.41 127.52 54.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.417 ' HE2' HD12 ' A' ' 109' ' ' LEU . 98.2 m-85 -110.24 116.73 32.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -113.35 130.71 56.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.07 0.462 . . . . 0.0 111.101 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.599 ' HB3' ' HB2' ' A' ' 105' ' ' GLN . 12.1 t70 -109.28 143.78 38.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.318 177.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 p -74.44 -4.34 36.03 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -79.51 -9.87 59.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.519 0.676 . . . . 0.0 109.742 174.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.66 23.95 6.04 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.186 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 16.1 mm100 -103.82 140.8 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.763 0.316 . . . . 0.0 110.444 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -140.86 115.93 9.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -113.75 133.53 55.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -118.82 125.02 48.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.018 0.437 . . . . 0.0 110.638 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.417 HD12 ' HE2' ' A' ' 99' ' ' PHE . 70.6 mt -117.9 111.52 19.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.093 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 m -91.75 119.52 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.308 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.18 117.95 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.929 0.395 . . . . 0.0 110.072 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 m -124.45 118.5 26.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -78.89 175.79 10.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.447 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.712 ' HB3' ' HE3' ' A' ' 23' ' ' LYS . 3.0 t-20 -51.26 107.16 0.16 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.283 -176.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -112.77 127.81 56.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.261 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -114.45 9.88 16.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.217 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.2 m 71.19 130.3 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 O-C-N 124.03 0.831 . . . . 0.0 111.702 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.1 t -174.04 -52.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.865 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -84.23 107.31 16.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.651 0.739 . . . . 0.0 112.689 -171.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.4 46.33 2.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 169.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -121.1 -178.12 3.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.169 -171.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -82.44 135.41 35.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.971 -177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.0 mp -93.28 -165.53 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.149 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.36 168.12 20.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.053 0.454 . . . . 0.0 111.275 -178.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -69.92 -62.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.088 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -140.2 84.21 1.95 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.918 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -84.25 70.59 10.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.467 0.651 . . . . 0.0 111.051 -173.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -179.35 98.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.962 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 44.8 t60 64.0 99.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.541 0.686 . . . . 0.0 111.8 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.3 t60 . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.425 175.002 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 121.044 0.45 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -131.66 -74.87 0.52 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' HB3' ' H ' ' A' ' 4' ' ' ASP . 8.2 m-20 -135.36 -144.72 0.21 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 3' ' ' ASP . 2.4 m-20 -70.78 177.17 3.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 175.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.0 p -95.6 5.01 8.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.704 0.764 . . . . 0.0 109.825 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.39 83.35 1.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.45 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.423 ' O ' HG12 ' A' ' 7' ' ' ILE . 14.2 tt -151.27 15.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.011 0.91 . . . . 0.0 109.014 175.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -105.7 -11.84 16.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.028 -173.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.49 175.11 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.761 0.315 . . . . 0.0 110.687 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 t -64.86 137.78 57.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.005 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -75.77 140.36 70.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.728 176.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.63 -49.63 5.33 Favored 'Trans proline' 0 CA--C 1.517 -0.351 0 C-N-CA 122.34 2.027 . . . . 0.0 111.636 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.499 ' HD1' ' HA ' ' A' ' 38' ' ' ARG . 92.6 m-85 -141.99 153.36 44.22 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.333 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.9 t -116.72 135.26 53.91 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.7 mt -111.83 125.98 69.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 110.628 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.05 135.85 44.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.92 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.1 p -125.04 138.47 54.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.956 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 33' ' ' ARG . 1.3 mpt? -77.75 134.3 65.24 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 177.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 35.3 Cg_exo -60.82 159.87 27.34 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.267 2.645 . . . . 0.0 113.105 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG21 ' HE1' ' A' ' 113' ' ' PHE . 22.1 m -115.98 165.55 14.45 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.909 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.77 147.17 74.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.603 2.202 . . . . 0.0 112.096 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -80.08 2.18 24.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.636 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -141.93 123.27 14.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.191 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.0 mt -136.9 115.7 12.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.375 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -109.49 -179.87 3.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.522 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' ' 89' ' ' SER . 23.3 t -64.8 121.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.05 0.452 . . . . 0.0 111.177 -175.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.15 -3.69 51.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.536 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.98 145.18 24.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.785 0.326 . . . . 0.0 110.401 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -117.1 115.74 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.57 116.51 28.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.192 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -87.22 100.62 12.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.208 0.528 . . . . 0.0 110.153 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.6 mt -95.04 99.76 9.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.488 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HB2' ' SD ' ' A' ' 18' ' ' MET . 67.4 mtt180 -82.01 124.19 29.57 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.741 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 17' ' ' THR . 39.2 m -117.79 126.38 52.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.33 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 33.3 tt0 -131.17 113.53 13.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.178 0.513 . . . . 0.0 111.057 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tt -83.58 116.71 22.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -84.83 109.7 18.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.987 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.504 ' HG3' ' CG ' ' A' ' 79' ' ' GLU . 5.8 mmm180 -83.99 119.98 25.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.998 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.54 -41.28 97.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.063 0.459 . . . . 0.0 109.875 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -148.38 -118.03 0.96 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.536 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -130.18 -63.46 0.9 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.48 0.181 . . . . 0.0 111.19 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.8 t80 65.67 -81.26 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.112 0 O-C-N 123.972 0.795 . . . . 0.0 109.53 -167.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -154.24 -170.1 3.44 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.04 66.4 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 0.0 109.722 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -60.8 114.68 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.594 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -82.5 117.12 22.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.339 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB2' HD12 ' A' ' 76' ' ' LEU . 33.5 m-85 -98.16 134.57 41.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 73' ' ' LEU . 94.6 m-85 -115.4 140.63 48.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -177.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.447 HG12 ' CE2' ' A' ' 51' ' ' TYR . 14.5 tt -115.92 129.77 71.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' NH1' HE22 ' A' ' 100' ' ' GLN . 44.5 ttp180 -135.88 134.28 38.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.676 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -127.47 105.76 8.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.826 0.346 . . . . 0.0 110.647 -169.325 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.6 116.02 28.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -104.43 103.49 39.65 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.1 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.95 -46.46 19.34 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.595 2.197 . . . . 0.0 111.587 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -154.82 120.79 5.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.829 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.24 169.79 30.31 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.674 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.16 98.29 3.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.07 173.23 29.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.74 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.7 m -125.16 113.35 17.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.839 0.352 . . . . 0.0 110.247 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.812 ' HG ' HD12 ' A' ' 68' ' ' LEU . 50.1 tp -104.44 119.68 39.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 0.0 110.365 -178.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 47.9 mtmt -124.61 149.77 46.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.412 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.6 ttm -85.0 153.27 22.86 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.574 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 5.5 p -53.27 -28.1 26.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 0.0 112.033 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.65 19.12 5.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.94 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.37 -1.04 88.64 Favored Glycine 0 C--N 1.334 0.457 0 CA-C-N 115.679 -0.692 . . . . 0.0 113.502 172.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 m -74.45 116.84 15.59 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 122.716 -0.284 . . . . 0.0 110.916 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 97.6 t -78.07 118.47 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 109.806 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.812 HD12 ' HG ' ' A' ' 60' ' ' LEU . 56.1 mt -92.07 117.86 30.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.702 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 94.6 mt -105.35 131.98 21.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.249 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.428 ' HA ' ' HD1' ' A' ' 51' ' ' TYR . 71.5 Cg_exo -52.47 -40.71 71.06 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 123.435 2.757 . . . . 0.0 113.952 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -92.26 16.05 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.382 0.61 . . . . 0.0 110.719 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.75 173.26 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.94 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 48' ' ' PHE . 48.5 tp -137.53 122.61 19.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.668 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HD2' ' OH ' ' A' ' 51' ' ' TYR . 82.7 m-85 -120.37 141.25 31.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.669 0.271 . . . . 0.0 111.247 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.37 141.27 15.86 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.615 2.21 . . . . 0.0 111.38 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -74.93 144.54 79.79 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.55 -35.96 35.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.03 2.487 . . . . 0.0 112.314 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.38 -155.69 13.78 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.501 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.504 ' CG ' ' HG3' ' A' ' 38' ' ' ARG . 2.2 mp0 -64.32 -49.33 72.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.727 0.298 . . . . 0.0 111.525 -178.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.445 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 12.9 t -112.31 137.71 50.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 0.0 110.887 -175.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -154.98 169.3 24.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.971 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.574 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 0.2 OUTLIER -128.2 132.02 48.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -176.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.542 ' HB3' HD11 ' A' ' 60' ' ' LEU . 81.6 mt -109.11 122.22 46.82 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -97.62 103.21 15.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -88.19 101.94 14.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.751 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 m -89.08 110.61 21.31 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.702 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.9 m -73.39 108.15 6.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.489 . . . . 0.0 110.751 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.63 6.4 47.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.484 0.659 . . . . 0.0 109.77 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.418 ' HA ' HG22 ' A' ' 26' ' ' VAL . 45.8 t -155.51 159.32 39.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.24 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.6 t -118.57 9.67 12.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.329 0.585 . . . . 0.0 109.771 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -83.09 -167.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.165 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.555 ' HG2' ' HB2' ' A' ' 114' ' ' ASN . 9.8 tm0? -73.29 115.43 12.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.653 ' HG3' ' HB2' ' A' ' 113' ' ' PHE . 9.7 pt20 -131.72 115.44 16.02 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.455 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 m -114.0 125.03 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.778 -177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -128.81 116.53 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.406 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.8 111.25 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.21 112.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.157 0.503 . . . . 0.0 110.441 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -101.52 129.58 47.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.402 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -109.84 112.61 24.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.46 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 9.4 pt20 -109.02 128.95 55.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.576 0.703 . . . . 0.0 110.94 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 11.2 t70 -83.45 168.38 16.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.76 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 t -74.59 -18.38 60.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -79.31 -14.41 59.02 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.743 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.68 4.65 52.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.69 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.409 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 0.7 OUTLIER -69.25 122.64 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.72 116.49 29.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -175.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -110.53 146.31 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 136.4 45.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.929 0.395 . . . . 0.0 111.465 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.8 mt -128.87 112.52 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 m -92.49 119.01 31.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.975 0.417 . . . . 0.0 111.066 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.68 118.82 37.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.902 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.9 m -122.49 111.87 17.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.85 0.357 . . . . 0.0 110.491 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.653 ' HB2' ' HG3' ' A' ' 93' ' ' GLN . 76.9 m-85 -110.22 125.96 53.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.555 ' HB2' ' HG2' ' A' ' 92' ' ' GLN . 53.9 t30 -154.98 98.86 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.855 0.36 . . . . 0.0 110.548 174.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -121.35 123.41 42.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.31 0.576 . . . . 0.0 110.211 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.55 123.88 19.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.187 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.8 m -138.61 176.74 8.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.0 p 55.32 25.3 7.35 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.117 0.967 . . . . 0.0 112.905 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -91.52 90.09 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.641 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 52.65 48.32 22.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.341 173.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -74.94 -28.97 60.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.077 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 68.61 -72.22 0.1 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.348 1.03 . . . . 0.0 112.165 172.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.67 131.7 49.77 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.47 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.92 111.66 2.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.426 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -107.59 120.5 42.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.525 -171.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -105.92 140.22 39.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.346 -175.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -158.48 17.8 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.118 0.485 . . . . 0.0 110.763 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -151.88 85.82 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.527 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -171.69 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.77 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 C--O 1.245 0.825 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -176.894 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -119.6 139.38 52.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.768 0.318 . . . . 0.0 110.627 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.55 -27.3 51.48 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 170.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.7 t70 69.02 -93.65 0.03 OUTLIER 'General case' 0 C--O 1.234 0.278 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.117 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t 40.38 70.18 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.879 0.737 . . . . 0.0 111.509 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -99.1 109.2 21.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.148 0.499 . . . . 0.0 110.555 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.0 tt -125.75 -32.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.933 177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 67.73 -58.98 0.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.552 0.741 . . . . 0.0 112.496 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -100.3 96.4 7.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.135 0.493 . . . . 0.0 111.262 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.2 t -106.84 -171.38 1.88 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -133.7 98.07 15.14 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.815 0.341 . . . . 0.0 111.117 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.02 137.68 73.48 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.996 2.464 . . . . 0.0 111.358 176.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 26.2 m-85 -90.43 138.34 31.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -174.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -99.22 132.53 44.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.766 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -110.93 111.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 0.0 110.371 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -101.91 116.16 32.1 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.745 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.3 p -92.36 136.77 32.93 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.401 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.9 mtt -68.98 135.62 89.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.9 107.77 0.17 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.251 2.634 . . . . 0.0 113.185 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.37 155.11 76.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.915 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.78 131.26 28.63 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.705 2.27 . . . . 0.0 111.899 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -85.32 6.55 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.61 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.778 ' HD2' ' HA ' ' A' ' 114' ' ' ASN . 14.0 mmmm -144.08 124.96 14.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.361 176.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 28' ' ' GLU . 6.9 tp -146.82 129.83 16.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.648 0.261 . . . . 0.0 110.522 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HB2' ' HG3' ' A' ' 28' ' ' GLU . 67.5 mttm -78.63 167.35 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.291 0.567 . . . . 0.0 111.466 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' ' 88' ' ' ALA . 47.4 t -68.44 118.1 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.041 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.48 -19.52 28.86 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.563 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.616 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . 25.8 mt-10 -73.12 139.84 46.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.4 . . . . 0.0 110.257 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -116.99 117.52 29.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.524 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.9 126.2 52.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.379 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -85.56 103.41 14.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.462 0.648 . . . . 0.0 110.573 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.68 99.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.517 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -83.36 116.31 22.41 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.325 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.66 131.06 55.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.099 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -111.23 111.05 21.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.354 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 10.6 tt -97.07 121.43 38.94 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -85.26 101.01 12.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ttp180 -93.75 105.97 17.97 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.761 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -105.63 -35.04 7.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.987 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.64 107.17 3.0 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.723 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' HG2' ' H ' ' A' ' 41' ' ' ARG . 2.7 ptt180 -56.34 118.29 4.62 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 171.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.827 ' HB2' ' HB ' ' A' ' 45' ' ' THR . 54.6 p90 -111.29 156.42 21.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.311 -167.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -116.69 -67.18 1.01 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.637 172.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 -16.29 24.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.193 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.827 ' HB ' ' HB2' ' A' ' 42' ' ' PHE . 25.0 m -69.23 78.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.845 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -104.54 152.97 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 12.4 m-85 -98.9 135.87 39.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.052 -171.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -123.74 142.72 50.82 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.875 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.711 HD11 ' HE1' ' A' ' 51' ' ' TYR . 17.6 tt -109.45 129.39 64.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.441 0.639 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.81 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 23.9 tpt180 -125.33 140.66 52.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.322 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.711 ' HE1' HD11 ' A' ' 49' ' ' ILE . 3.5 m-85 -131.09 148.76 52.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.827 0.346 . . . . 0.0 111.16 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -141.14 125.8 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.188 173.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -121.32 102.41 42.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.092 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.684 ' HD2' ' O ' ' A' ' 94' ' ' THR . 50.2 Cg_exo -54.69 -34.4 83.72 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.889 2.392 . . . . 0.0 111.809 173.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.717 ' HB3' ' HG3' ' A' ' 93' ' ' GLN . 31.3 t70 -86.18 -81.56 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.86 -4.05 32.09 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.869 170.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.22 97.7 8.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.158 0.504 . . . . 0.0 110.879 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.96 172.01 33.72 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.468 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 m -124.69 121.86 35.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.7 tp -123.17 123.38 40.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.692 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -128.27 146.32 50.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.113 0.483 . . . . 0.0 110.831 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.8 ttm -75.17 162.32 28.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.238 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.3 t -51.07 -31.45 18.94 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -87.97 6.35 36.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.679 0.275 . . . . 0.0 111.71 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.26 -16.82 60.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.803 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -58.68 115.28 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.658 0.266 . . . . 0.0 111.017 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -72.42 133.18 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.794 0.33 . . . . 0.0 110.184 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.479 HD11 HD22 ' A' ' 83' ' ' LEU . 79.3 mt -101.5 101.9 12.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.592 -177.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 91.5 mt -105.14 142.9 25.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.983 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 6.2 Cg_exo -73.92 26.94 0.33 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.264 2.643 . . . . 0.0 113.467 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -111.24 -50.96 2.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -101.1 175.07 5.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.314 0.578 . . . . 0.0 111.74 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.3 tp -111.97 134.3 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.78 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 88.8 m-85 -123.48 144.75 44.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.649 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.4 Cg_exo -80.29 144.22 16.18 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.983 2.455 . . . . 0.0 112.509 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.618 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.8 mt -86.02 147.83 46.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.993 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.75 -51.8 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.111 2.541 . . . . 0.0 112.855 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.48 -141.14 3.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.443 ' HA ' ' HB3' ' A' ' 36' ' ' LEU . 3.3 mp0 -72.63 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.963 0.411 . . . . 0.0 111.357 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -105.98 125.2 50.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.653 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -146.74 156.95 43.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.557 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 82' ' ' ARG . 13.9 ptp180 -117.65 140.89 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.662 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 68' ' ' LEU . 52.0 mt -120.41 119.09 32.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.653 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -87.42 109.12 19.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 0.0 111.268 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 87' ' ' SER . 68.0 t80 -99.98 105.93 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.12 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.2 m -94.05 107.93 19.81 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.333 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.578 ' HB2' HD23 ' A' ' 24' ' ' LEU . 18.6 t -79.66 129.59 34.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 -176.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.593 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -120.53 13.01 11.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.435 0.636 . . . . 0.0 109.393 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.518 ' HB2' HE21 ' A' ' 93' ' ' GLN . 6.7 t -87.0 143.85 27.16 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.007 -177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -89.6 -13.76 36.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.427 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -147.56 -160.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 114' ' ' ASN . 54.0 tt0 -59.42 114.01 2.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.152 -176.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.717 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 7.3 tt0 -106.45 123.2 47.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.405 174.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.684 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 14.0 m -88.61 120.37 29.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.149 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.51 106.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.721 0.296 . . . . 0.0 110.47 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -93.41 111.2 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.185 0.517 . . . . 0.0 110.16 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.563 HG22 ' CE2' ' A' ' 51' ' ' TYR . 18.5 t -100.86 134.49 40.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.209 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.81 ' HB2' ' HB3' ' A' ' 50' ' ' ARG . 78.6 m-85 -123.88 119.78 30.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.187 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -109.27 112.39 24.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 105' ' ' GLN . 3.2 pt20 -121.01 161.68 21.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.833 0.349 . . . . 0.0 110.769 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.517 ' OD2' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -141.91 162.42 35.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 179.374 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.2 t -71.54 -18.86 62.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.663 -173.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.443 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 92.1 t80 -79.24 -24.29 43.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.999 0.428 . . . . 0.0 110.304 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.41 13.9 5.09 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.346 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 100' ' ' GLN . 5.7 tp-100 -80.2 134.92 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.016 0.408 . . . . 0.0 110.055 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 100' ' ' GLN . 65.8 tp -141.97 116.43 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.051 0.453 . . . . 0.0 110.114 176.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -108.77 115.89 30.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.498 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.98 110.92 23.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.935 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.1 mt -119.18 125.34 48.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.951 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.2 m -112.71 119.6 38.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.984 0.421 . . . . 0.0 110.681 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.0 140.53 45.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.349 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 t -113.6 108.94 17.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.123 0.487 . . . . 0.0 110.537 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -90.85 132.39 35.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.778 ' HA ' ' HD2' ' A' ' 23' ' ' LYS . 6.1 m-20 63.82 60.9 1.01 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -171.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -55.96 158.03 4.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.945 -172.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.16 -49.36 32.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.943 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.429 ' HB3' ' HG2' ' A' ' 120' ' ' GLU . 15.9 t -144.34 -173.17 3.95 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.937 -175.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.8 m -59.19 -47.95 83.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.631 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -159.53 95.37 1.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.598 -176.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.429 ' HG2' ' HB3' ' A' ' 117' ' ' SER . 9.2 pt-20 -162.7 32.68 0.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.25 0.548 . . . . 0.0 110.973 174.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -75.57 -12.15 60.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.834 0.826 . . . . 0.0 109.683 176.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -89.59 24.75 2.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.174 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 120' ' ' GLU . 83.0 mt -110.05 133.77 52.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.703 0.287 . . . . 0.0 111.519 -176.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 125' ' ' HIS . 2.8 mp0 -76.43 93.1 3.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 170.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 124' ' ' GLU . 33.6 t-80 69.91 119.55 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 O-C-N 123.861 0.726 . . . . 0.0 109.609 -169.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -55.46 106.37 0.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.108 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -116.58 2.01 12.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.454 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -100.09 144.28 29.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.904 -1.043 . . . . 0.0 108.943 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 41.0 t60 65.12 93.84 0.06 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.382 0.611 . . . . 0.0 111.014 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.1 p80 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.084 176.762 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.96 0.409 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -136.26 8.96 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.207 0.527 . . . . 0.0 110.269 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -91.93 83.72 5.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.278 -171.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -178.71 177.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.0 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.1 -37.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 7' ' ' ILE . 10.7 p-10 -112.07 -26.26 8.94 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.59 -174.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 6' ' ' ASP . 69.8 mt 72.72 146.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 O-C-N 123.44 0.462 . . . . 0.0 110.092 -178.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -55.02 161.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 112.088 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -71.46 2.84 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.667 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 m -75.08 61.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.058 0.456 . . . . 0.0 110.721 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -87.92 117.81 68.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.93 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.25 152.63 39.83 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.549 2.166 . . . . 0.0 112.733 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' HD1' ' HG2' ' A' ' 105' ' ' GLN . 76.1 m-85 -80.87 179.2 7.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.579 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.488 ' HB3' ' CG ' ' A' ' 37' ' ' HIS . 12.6 t -141.03 110.1 6.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.943 0.401 . . . . 0.0 110.24 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.1 mp -108.43 106.23 20.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -101.22 155.17 18.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.644 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 p -118.79 162.49 18.38 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.931 0.396 . . . . 0.0 110.601 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ptm -86.38 141.28 34.48 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -45.72 115.3 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.17 2.58 . . . . 0.0 112.905 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.15 151.77 52.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 167.51 24.13 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.651 2.234 . . . . 0.0 111.598 175.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -108.17 9.58 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.649 0.261 . . . . 0.0 111.069 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -164.11 158.08 18.87 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.696 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 30' ' ' ALA . 95.1 mt -142.73 169.11 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.451 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -123.99 165.51 17.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.766 0.317 . . . . 0.0 110.797 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.89 112.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.39 0.31 58.21 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.963 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 86' ' ' THR . 9.0 tp10 -84.97 141.43 30.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.2 m -117.44 114.63 23.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.9 0.381 . . . . 0.0 110.679 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -82.78 125.19 31.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.353 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -94.3 101.51 13.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.779 179.482 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -104.27 99.23 8.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.207 0.527 . . . . 0.0 110.166 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -92.33 126.59 37.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.456 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.5 m -114.66 141.31 47.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.186 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.61 112.89 21.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 79' ' ' GLU . 5.0 tp -83.59 120.3 25.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.931 176.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.488 ' CG ' ' HB3' ' A' ' 14' ' ' SER . 18.3 m170 -78.06 103.44 7.99 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.027 0.441 . . . . 0.0 109.912 175.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' NH2' ' HG2' ' A' ' 44' ' ' GLU . 35.0 ttt180 -138.29 106.72 5.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.327 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.16 -59.53 2.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.25 175.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.8 -64.33 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 119.996 -1.097 . . . . 0.0 113.775 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HD2' ' HZ ' ' A' ' 13' ' ' PHE . 3.9 tpm_? 62.14 -95.5 0.05 Allowed 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -170.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -175.88 123.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 61.0 -176.88 0.11 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.596 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' NH2' ' A' ' 38' ' ' ARG . 27.4 mt-10 -103.53 79.21 1.66 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 t -68.1 147.27 52.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.079 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -82.34 124.38 29.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -174.062 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.29 143.57 28.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HB3' HD11 ' A' ' 73' ' ' LEU . 94.1 m-85 -124.47 153.96 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 0.0 111.831 -173.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 98' ' ' TYR . 13.8 tt -134.09 139.16 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.225 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -139.64 161.86 36.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CE2' HD13 ' A' ' 68' ' ' LEU . 81.8 m-85 -134.22 165.45 25.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.444 0.64 . . . . 0.0 112.304 -174.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.453 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 71.7 t80 -154.35 110.72 3.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 108.45 169.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 19.7 pt20 -138.04 119.84 10.68 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 121.083 0.468 . . . . 0.0 111.147 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 16.7 Cg_exo -71.23 -22.14 25.99 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 123.459 2.772 . . . . 0.0 112.728 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.553 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 2.9 p-10 -68.9 124.11 22.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.36 0.6 . . . . 0.0 110.471 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.23 -22.89 9.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.325 -175.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB3' ' OG ' ' A' ' 89' ' ' SER . . . -95.38 87.19 4.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.373 0.587 . . . . 0.0 110.673 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.87 179.84 43.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.604 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -149.24 134.6 18.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.189 0.494 . . . . 0.0 110.609 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.6 tp -121.38 122.67 40.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.403 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -121.08 157.45 30.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.021 0.439 . . . . 0.0 110.724 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.471 ' HG2' ' N ' ' A' ' 63' ' ' SER . 43.7 ttm -90.32 168.89 11.55 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 171.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.82 ' HB3' ' HG2' ' A' ' 82' ' ' ARG . 2.7 p -54.91 -23.31 18.24 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 176.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -77.23 -19.75 56.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.068 0.461 . . . . 0.0 111.194 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.45 -6.31 52.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.393 -174.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -61.72 121.14 12.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.976 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.44 117.05 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 51' ' ' TYR . 39.0 mt -86.85 108.42 18.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.83 -173.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.9 mt -105.46 130.06 23.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.485 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.7 92.56 0.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.38 2.053 . . . . 0.0 112.015 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.49 -60.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.345 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -106.7 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.759 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 48' ' ' PHE . 43.3 tp -111.77 120.28 41.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -172.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -101.07 150.83 37.41 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.405 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -88.03 167.63 6.8 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.772 2.315 . . . . 0.0 112.586 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.3 mt -98.92 136.0 20.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.418 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -81.38 -0.15 10.31 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.753 2.302 . . . . 0.0 113.066 -177.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.01 -161.62 31.21 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.198 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.585 ' HG3' HD23 ' A' ' 36' ' ' LEU . 3.7 mp0 -88.81 -44.34 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.976 0.417 . . . . 0.0 111.289 -177.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -93.31 46.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -82.04 167.65 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.123 0.487 . . . . 0.0 111.132 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.82 ' HG2' ' HB3' ' A' ' 63' ' ' SER . 8.8 ptp85 -144.43 159.0 43.47 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -126.8 127.69 45.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.95 111.71 24.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.617 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.61 113.23 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.955 0.407 . . . . 0.0 110.84 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 23.0 m -97.55 118.67 34.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.837 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 p -87.81 138.68 31.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.382 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.64 10.22 13.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 111.025 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 34.0 m -117.02 177.44 4.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -67.52 -46.15 73.68 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.075 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -163.86 75.98 0.35 Allowed 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 164.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.553 ' HG3' ' HB3' ' A' ' 55' ' ' ASP . 21.3 tp60 -111.02 104.1 12.63 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.353 175.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.506 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 52.1 tt0 -150.21 120.96 7.55 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.116 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -141.34 103.3 4.39 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.3 t -127.33 120.2 54.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.497 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 52' ' ' PHE . 13.6 m-20 -87.5 110.84 20.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 169.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.05 122.26 52.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.0 0.429 . . . . 0.0 110.394 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 34.2 m-85 -107.73 113.9 27.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.053 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HE2' HD12 ' A' ' 109' ' ' LEU . 87.8 m-85 -108.66 111.99 24.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.529 ' HB3' HD13 ' A' ' 106' ' ' LEU . 29.0 pt20 -125.27 140.88 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.969 0.89 . . . . 0.0 112.082 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.822 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -94.64 158.43 15.53 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.729 174.091 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.2 p -57.52 -27.07 62.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -93.37 -2.99 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 111.153 -175.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.56 24.16 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.544 174.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.822 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 8.1 tp-100 -74.52 104.39 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 100' ' ' GLN . 55.5 tp -116.87 124.43 49.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.881 0.372 . . . . 0.0 111.661 -174.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -110.82 110.07 20.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.521 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.96 117.09 29.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.42 HD12 ' HE2' ' A' ' 99' ' ' PHE . 38.4 mt -111.99 116.12 30.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.041 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.2 m -99.89 115.2 29.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.458 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.552 ' HB3' ' HE1' ' A' ' 113' ' ' PHE . 86.2 m-85 -114.5 118.11 32.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 6.5 m -124.09 112.12 16.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.552 ' HE1' ' HB3' ' A' ' 111' ' ' PHE . 1.6 m-85 -89.41 111.46 22.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.946 -176.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.8 t30 69.4 173.89 0.29 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 123.981 0.8 . . . . 0.0 110.464 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' A' ' 116' ' ' ASP . 5.9 p-10 -90.31 -160.74 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.58 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 13.2 m-20 83.07 17.52 0.28 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.754 0.822 . . . . 0.0 111.35 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.8 t -86.94 103.83 15.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.601 ' HB3' ' HB2' ' A' ' 121' ' ' GLU . 56.8 m -68.13 119.35 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.922 -174.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 119' ' ' LYS . 40.5 mtmt -82.28 -54.81 4.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.431 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.75 -26.69 24.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.171 -172.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.601 ' HB2' ' HB3' ' A' ' 118' ' ' SER . 6.9 mm-40 -83.13 37.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.403 0.621 . . . . 0.0 110.055 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.85 -56.85 15.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.788 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.6 mt -88.54 122.05 31.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.509 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 127' ' ' HIS . 1.1 tm-20 -67.9 127.72 33.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -63.87 110.84 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.677 -171.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 74.54 -51.37 0.68 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.737 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.403 ' HA ' ' OE1' ' A' ' 124' ' ' GLU . 48.2 t-80 71.53 -59.49 0.55 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.564 0.746 . . . . 0.0 111.535 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -164.34 137.62 5.12 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.21 -35.73 72.1 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.656 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 . . . . . 0 C--O 1.241 0.651 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 172.106 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.446 0.165 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -85.02 -46.06 11.54 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.918 0.389 . . . . 0.0 110.049 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -86.14 124.96 33.13 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 172.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.2 t70 70.32 96.93 0.07 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.807 0.692 . . . . 0.0 110.047 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -78.53 169.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.81 -174.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -63.14 144.44 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.849 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 7' ' ' ILE . 8.5 tt -150.97 -13.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.206 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -72.9 0.57 10.76 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -173.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 65.35 7.64 4.4 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 170.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 t -145.29 150.69 37.1 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -123.26 93.83 47.54 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.377 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.1 118.48 5.57 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.53 2.153 . . . . 0.0 110.853 176.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -63.81 139.01 58.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.204 0.526 . . . . 0.0 111.095 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.9 m -92.02 121.41 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.187 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.11 113.67 44.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.575 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -118.74 143.81 46.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.387 0.613 . . . . 0.0 111.272 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.3 p -114.94 141.58 47.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.5 mmt -72.95 154.41 90.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.577 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 147.64 46.15 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.211 2.608 . . . . 0.0 112.976 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -124.57 158.72 60.94 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.384 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -57.08 133.91 60.91 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.296 1.997 . . . . 0.0 111.306 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.32 -26.77 67.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.463 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -143.66 146.61 33.36 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 87' ' ' SER . 86.3 mt -121.38 163.76 18.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.356 -176.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -124.22 176.36 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.653 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.22 115.85 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.07 -16.33 30.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.76 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -71.78 124.96 25.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.421 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -99.82 105.66 17.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.852 0.358 . . . . 0.0 110.221 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.83 106.08 17.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.808 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.03 115.44 23.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.095 0.474 . . . . 0.0 110.268 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 44.7 mt -103.09 100.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.382 176.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 33' ' ' ARG . 18.1 ttt180 -69.0 114.26 7.13 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.62 127.38 53.6 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.34 113.03 13.27 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.225 0.536 . . . . 0.0 110.53 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -91.21 120.75 32.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.687 175.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -79.25 99.31 7.0 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.369 -0.533 . . . . 0.0 109.706 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -106.41 135.95 47.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.041 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -92.52 158.1 16.19 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.62 57.6 2.53 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 121.474 -0.393 . . . . 0.0 112.712 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.46 HH11 ' HD2' ' A' ' 41' ' ' ARG . 10.3 ttt180 -136.92 97.41 3.51 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -109.34 106.18 15.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -166.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -122.07 73.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 168.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' HB3' ' HE3' ' A' ' 46' ' ' LYS . 1.0 OUTLIER 47.88 50.48 15.59 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.266 -177.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.59 89.45 3.91 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.265 0.555 . . . . 0.0 110.007 174.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.487 ' HE3' ' HB3' ' A' ' 44' ' ' GLU . 87.6 mttt -99.77 128.28 45.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.126 -176.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 69.0 m-85 -107.37 127.84 53.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -174.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -119.57 122.42 41.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.747 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.6 tt -107.77 128.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 0.0 110.637 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -113.42 157.92 21.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.567 ' OH ' HD22 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -134.13 145.09 48.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.103 -174.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -142.24 126.77 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.838 174.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -126.67 107.79 22.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' O ' ' A' ' 94' ' ' THR . 27.5 Cg_exo -62.77 -39.6 41.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 111.21 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -83.78 -68.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.391 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.0 8.66 64.64 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-N 115.277 -0.874 . . . . 0.0 114.003 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.92 87.23 5.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.503 0.652 . . . . 0.0 110.732 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.49 150.59 6.31 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.558 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 26.7 m -98.31 113.97 26.1 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -177.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.607 ' HG ' HD12 ' A' ' 68' ' ' LEU . 52.0 tp -102.02 121.36 42.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.385 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HG2' HG22 ' A' ' 67' ' ' VAL . 47.4 mtmt -131.6 157.34 43.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.128 0.49 . . . . 0.0 111.792 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.411 ' HG2' ' H ' ' A' ' 63' ' ' SER . 43.2 ttm -95.65 166.74 11.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.169 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.458 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -57.88 -30.25 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.62 7.75 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.622 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.79 -7.38 82.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.246 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -61.71 117.08 5.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 122.357 0.263 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.475 HG22 ' HG2' ' A' ' 61' ' ' LYS . 64.2 t -78.28 124.35 36.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.607 HD12 ' HG ' ' A' ' 60' ' ' LEU . 55.6 mt -91.15 104.57 17.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.197 -172.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 3.9 mm? -91.31 129.44 43.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.397 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.489 ' O ' ' HB3' ' A' ' 71' ' ' ASN . 32.1 Cg_exo -60.31 177.02 0.64 Allowed 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.208 2.605 . . . . 0.0 113.015 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 70' ' ' PRO . 20.6 t-20 75.42 -54.57 0.64 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.483 0.713 . . . . 0.0 111.159 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.51 161.33 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.0 pt? -129.25 118.82 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.517 . . . . 0.0 110.329 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HE2' ' HA ' ' A' ' 68' ' ' LEU . 13.2 m-30 -94.73 151.4 39.07 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.719 -174.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 47' ' ' TYR . 43.9 Cg_endo -70.31 140.19 40.05 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.356 2.037 . . . . 0.0 111.652 174.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 69.1 mt -84.36 143.28 41.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.426 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.36 -40.49 24.69 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.766 2.311 . . . . 0.0 112.252 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.92 -147.68 9.17 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.713 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -71.06 -57.75 4.23 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.804 0.442 . . . . 0.0 111.403 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.0 p -100.6 117.51 34.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.106 0.479 . . . . 0.0 111.789 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -143.57 160.31 40.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.114 175.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.462 HH11 ' HD3' ' A' ' 82' ' ' ARG . 6.8 mmm180 -111.69 125.54 54.07 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -175.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.402 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 88.6 mt -101.14 113.95 27.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -101.15 105.43 16.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -97.93 110.7 23.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.361 0.6 . . . . 0.0 110.075 174.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 8.9 m -86.7 101.42 13.27 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.19 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.518 ' HB2' HD13 ' A' ' 24' ' ' LEU . 22.9 t -69.86 127.06 31.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.745 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.84 15.16 16.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.248 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 m -134.44 146.95 50.3 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.665 -175.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.1 m -110.44 -5.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.879 0.847 . . . . 0.0 109.044 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -88.26 -165.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.33 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -66.72 113.87 5.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.989 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -120.63 111.74 18.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.427 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 32.2 m -107.45 127.1 53.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 111.003 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.0 t -123.25 117.09 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.045 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -98.19 116.35 30.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.175 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -108.44 122.46 62.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -108.93 124.85 51.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.842 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.84 114.45 28.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -107.63 119.24 38.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 105' ' ' GLN . 4.9 t70 -103.61 164.1 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.782 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.6 t -73.81 -16.76 61.14 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -174.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.402 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 62.3 m-85 -84.2 6.0 24.3 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.032 -0.418 . . . . 0.0 110.96 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.54 0.39 69.82 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.879 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.515 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 6.2 tp-100 -73.42 126.38 30.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 0.0 110.639 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.1 tp -126.36 115.27 19.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -110.15 111.33 22.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.357 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -99.43 112.36 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.275 0.559 . . . . 0.0 110.293 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.8 mt -101.48 113.08 25.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.451 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -97.92 113.99 25.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.973 0.416 . . . . 0.0 110.519 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -108.95 118.55 37.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -120.01 115.51 23.89 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -99.16 108.24 20.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.233 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -158.67 150.17 20.86 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -82.61 -1.04 49.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.842 -171.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.95 -10.01 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.834 0.35 . . . . 0.0 110.35 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.8 t -59.1 -34.6 72.2 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.968 -177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 p -136.04 113.55 10.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -127.84 144.15 51.1 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.632 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 61.84 30.39 18.23 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.537 0.523 . . . . 0.0 110.692 -175.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.538 ' HG3' ' H ' ' A' ' 122' ' ' GLU . 8.2 tp10 -125.68 179.23 5.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.538 ' H ' ' HG3' ' A' ' 121' ' ' GLU . 44.0 mt-10 69.52 75.46 0.23 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 110.537 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.9 tp -125.37 -35.13 2.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.075 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 128' ' ' HIS . 26.4 mm-40 63.95 99.12 0.04 OUTLIER 'General case' 0 C--O 1.232 0.183 0 O-C-N 123.937 0.773 . . . . 0.0 110.998 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -51.79 126.25 17.39 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.347 -175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 54.4 48.34 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.346 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 72.46 -11.18 0.84 Allowed 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.578 172.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.655 ' HB2' ' HB3' ' A' ' 124' ' ' GLU . 20.5 t60 53.7 75.97 0.24 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.256 0.551 . . . . 0.0 109.648 -170.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -131.26 140.86 49.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.108 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.309 177.173 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -141.47 140.03 33.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.9 49.0 18.72 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.417 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -86.1 -177.94 6.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -86.6 145.57 7.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.152 0.501 . . . . 0.0 111.191 -175.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.52 ' CG ' ' H ' ' A' ' 7' ' ' ILE . 19.6 t70 -97.35 -153.01 0.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.52 ' H ' ' CG ' ' A' ' 6' ' ' ASP . 64.3 mt -79.12 100.94 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.974 0.416 . . . . 0.0 109.981 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -104.02 -42.3 5.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.3 0.571 . . . . 0.0 110.086 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -115.19 100.16 7.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.979 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 m -84.65 2.3 42.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -139.35 96.89 8.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.096 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -91.3 -164.16 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.025 2.484 . . . . 0.0 111.135 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -99.6 136.53 39.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.5 m -128.62 130.91 47.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.066 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.659 HG13 HE22 ' A' ' 107' ' ' GLN . 53.5 mt -112.88 121.07 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.534 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.45 126.64 37.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.384 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.592 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 19.3 p -103.59 125.35 50.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.359 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.467 ' CG ' ' HB3' ' A' ' 33' ' ' ARG . 23.8 mmt -59.6 145.06 83.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.121 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -46.87 116.74 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.711 2.94 . . . . 0.0 113.098 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 HG12 ' A' ' 32' ' ' ILE . 31.7 m -80.62 144.16 56.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.6 140.33 68.05 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.808 2.339 . . . . 0.0 112.278 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 114' ' ' ASN . 0.5 OUTLIER -91.22 -17.09 26.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -119.45 115.91 25.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.832 0.348 . . . . 0.0 110.141 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.8 mt -122.49 145.35 48.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.5 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HA ' HG22 ' A' ' 90' ' ' THR . 5.6 mptt -116.14 167.87 10.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.743 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.4 116.69 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.66 -0.53 59.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.688 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.02 145.68 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m -116.66 114.51 24.16 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.547 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.55 103.06 15.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.944 177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.9 100.27 4.77 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 20' ' ' VAL . 39.0 mt -91.52 98.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.073 176.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 18' ' ' MET . 23.9 ttt180 -83.4 114.19 21.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.478 ' SG ' HG22 ' A' ' 17' ' ' THR . 36.6 m -106.98 127.1 53.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.468 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.743 ' HG3' ' HB ' ' A' ' 80' ' ' THR . 33.7 tt0 -124.58 112.4 16.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.175 0.512 . . . . 0.0 110.843 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.6 tt -81.44 120.08 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.213 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -90.78 100.82 13.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.768 ' HE ' ' HG2' ' A' ' 79' ' ' GLU . 13.7 ptt180 -117.18 105.66 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.645 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -76.21 -44.95 35.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 171.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.09 114.38 6.34 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.049 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.458 ' HD3' ' HA ' ' A' ' 41' ' ' ARG . 20.6 mmt180 -74.36 88.8 2.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.722 0.772 . . . . 0.0 112.427 -175.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.56 98.83 7.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.193 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -91.4 -25.62 19.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.395 -169.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -94.81 -9.39 34.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.108 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.405 HG23 ' HB2' ' A' ' 102' ' ' SER . 95.4 m -70.29 110.21 5.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.249 0.547 . . . . 0.0 110.45 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -83.66 132.62 34.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.84 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -101.57 134.18 45.1 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -115.55 131.84 56.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.121 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.8 tt -106.28 128.19 60.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 0.0 110.998 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -123.28 151.58 42.23 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -144.93 125.5 14.08 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.971 -172.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -115.3 117.82 31.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.903 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.635 HE21 HG22 ' A' ' 95' ' ' VAL . 36.2 tt0 -119.46 90.73 43.16 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 0.0 110.483 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.39 -13.12 8.81 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.766 2.311 . . . . 0.0 112.202 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 8.6 t70 -143.47 134.73 25.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.545 -175.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.89 179.09 33.32 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.041 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.27 113.78 5.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.869 0.366 . . . . 0.0 110.388 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.68 134.75 3.5 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.199 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.8 m -86.95 112.08 21.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.903 0.383 . . . . 0.0 110.39 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.595 ' HG ' HD12 ' A' ' 68' ' ' LEU . 57.3 tp -89.93 133.68 34.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.93 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HE2' HG22 ' A' ' 67' ' ' VAL . 99.6 mttt -122.62 153.97 38.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.016 0.436 . . . . 0.0 110.789 177.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.8 ttm -88.71 159.32 17.86 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 4.5 p -57.57 -20.37 31.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.59 -22.52 50.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.021 0.438 . . . . 0.0 110.938 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.28 -7.47 24.89 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -60.61 118.92 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.313 -0.443 . . . . 0.0 111.011 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.416 HG22 ' HE2' ' A' ' 61' ' ' LYS . 87.6 t -80.22 125.17 38.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.001 0.429 . . . . 0.0 110.062 178.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 70.3 mt -98.16 115.98 29.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.716 -174.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 92.8 mt -108.9 130.18 23.04 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.117 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 23.9 Cg_exo -62.85 86.81 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.045 2.497 . . . . 0.0 113.311 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -162.71 -52.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.15 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -115.41 -170.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.097 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -130.34 147.5 52.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -117.98 152.66 50.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.203 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.94 141.21 21.02 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.725 2.283 . . . . 0.0 112.171 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.73 123.06 66.09 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.926 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.72 16.5 1.1 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.86 2.373 . . . . 0.0 112.688 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.21 -175.84 47.18 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.768 ' HG2' ' HE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -101.93 -37.34 8.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.717 0.294 . . . . 0.0 110.72 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.743 ' HB ' ' HG3' ' A' ' 35' ' ' GLN . 5.6 t -102.12 106.96 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.425 0.631 . . . . 0.0 109.798 174.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -140.22 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.217 -173.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 38.1 mtt85 -113.49 138.68 49.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.303 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' A' ' 60' ' ' LEU . 86.8 mt -115.71 119.96 37.78 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 171.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -97.17 99.84 11.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.998 0.428 . . . . 0.0 110.718 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -92.55 104.51 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.488 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -85.17 109.52 18.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.123 0.487 . . . . 0.0 109.745 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -79.38 120.1 23.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.374 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.97 6.87 41.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.562 0.696 . . . . 0.0 109.135 173.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -133.37 144.49 49.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 25' ' ' LYS . 22.2 p -95.62 -18.94 20.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.251 0.548 . . . . 0.0 111.029 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.27 -164.49 1.19 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.221 -173.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.482 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . 32.2 mt-30 -63.39 129.8 41.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.258 0.551 . . . . 0.0 110.871 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -119.95 121.26 38.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.83 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 55' ' ' ASP . 30.7 m -102.87 106.36 16.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.916 0.388 . . . . 0.0 111.255 -174.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.635 HG22 HE21 ' A' ' 53' ' ' GLN . 36.1 t -119.4 110.3 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.034 178.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -95.25 111.32 23.19 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.53 138.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.36 0.6 . . . . 0.0 111.462 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.513 ' HB3' HD11 ' A' ' 106' ' ' LEU . 37.9 m-85 -119.7 123.69 44.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.922 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -108.71 112.07 24.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -109.07 138.19 45.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.606 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -107.97 166.22 10.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.697 0.284 . . . . 0.0 110.428 178.342 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.405 ' HB2' HG23 ' A' ' 45' ' ' THR . 50.8 m -70.36 -20.68 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.422 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 87.7 t80 -80.08 -24.59 40.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.24 12.37 8.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.903 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -81.07 139.88 35.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 98' ' ' TYR . 46.1 tp -129.68 119.14 23.02 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.051 0.453 . . . . 0.0 110.364 -178.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.659 HE22 HG13 ' A' ' 15' ' ' ILE . 8.6 tt0 -110.0 109.87 20.6 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.458 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -95.6 125.26 40.07 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -126.14 109.5 12.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.025 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.2 m -92.83 119.42 32.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.592 ' HZ ' HG21 ' A' ' 17' ' ' THR . 98.3 m-85 -108.98 119.17 38.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.925 0.393 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -111.99 108.59 17.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -81.96 173.33 12.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.722 -175.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . 26.4 t-20 75.82 -75.98 0.06 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.97 177.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.413 ' HB2' ' OD1' ' A' ' 114' ' ' ASN . 0.1 OUTLIER -136.15 -165.68 1.75 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.072 -172.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -112.63 102.02 10.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.213 -174.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 p -86.76 77.76 9.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.399 0.619 . . . . 0.0 109.374 177.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -86.6 30.47 0.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.175 -170.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -147.4 135.19 21.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.084 0.469 . . . . 0.0 111.108 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -116.01 -179.3 3.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.461 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 68.64 -76.63 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.938 0.774 . . . . 0.0 112.327 173.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.79 -4.86 59.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.523 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.1 tp -88.33 162.75 16.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 170.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 85.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.331 0.586 . . . . 0.0 110.816 -174.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -132.44 146.26 51.81 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -94.42 33.91 1.36 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.64 0.734 . . . . 0.0 111.167 -168.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -94.79 131.88 40.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 171.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -127.05 43.91 3.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.856 0.36 . . . . 0.0 110.616 -173.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 45.7 m80 64.89 -88.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.191 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.212 175.683 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -104.65 -45.14 4.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.297 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.3 t70 51.81 60.86 3.55 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -168.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.85 -174.18 5.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.227 -1.352 . . . . 0.0 110.989 -166.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -92.25 86.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 63.97 179.4 0.17 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.194 -169.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.1 mt -139.32 -52.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 O-C-N 122.112 -0.367 . . . . 0.0 110.459 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 59.56 80.22 0.2 Allowed 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.716 0.635 . . . . 0.0 109.638 -174.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.403 ' HB2' HE21 ' A' ' 9' ' ' GLN . 0.7 OUTLIER -76.46 80.89 3.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.25 0.548 . . . . 0.0 110.975 -173.685 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.9 t -122.41 73.18 1.1 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -115.66 93.59 37.64 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.163 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.72 162.05 42.24 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.765 2.31 . . . . 0.0 111.96 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -69.97 138.16 52.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.233 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 p -95.53 121.41 37.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.156 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.5 mt -101.06 110.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -97.65 110.7 23.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.966 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.4 p -112.45 125.72 54.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.09 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.7 ptm -64.37 141.59 98.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.45 131.84 45.61 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.946 2.431 . . . . 0.0 112.382 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.0 m -86.11 160.44 51.97 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.15 -175.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.07 146.94 67.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.788 2.326 . . . . 0.0 111.792 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 3.0 mptp? -88.49 -28.54 20.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.146 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HD3' ' HA ' ' A' ' 114' ' ' ASN . 27.2 mmtp -127.88 136.3 51.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.305 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 mt -144.98 115.05 7.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.475 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -97.6 171.34 8.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.408 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.71 122.03 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.33 -17.42 19.05 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -80.37 154.51 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 0.0 110.56 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.1 m -129.26 117.65 21.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.075 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.89 116.34 28.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.035 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -89.28 99.87 12.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.284 0.564 . . . . 0.0 110.083 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 51.4 mt -93.98 101.82 12.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.995 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.851 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 97.2 mtt180 -80.3 117.64 21.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.084 0.469 . . . . 0.0 110.298 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.1 129.44 55.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.176 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -124.52 113.08 17.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.117 0.484 . . . . 0.0 111.274 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tt -93.33 119.05 32.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.474 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -102.58 113.23 26.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.518 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 42' ' ' PHE . 15.7 ptt180 -87.74 120.12 28.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 171.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.25 -73.38 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.256 -170.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.6 -138.96 10.24 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.347 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -85.24 73.02 10.66 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.007 0.432 . . . . 0.0 109.92 -176.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 38' ' ' ARG . 94.3 m-85 -94.64 100.63 12.54 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 174.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.97 -77.62 0.39 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.482 -171.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 4.3 mm-40 -96.62 35.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.918 0.389 . . . . 0.0 111.888 -174.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.75 103.42 3.64 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 172.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 101' ' ' ASP . 74.6 mmtt -80.5 118.57 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -174.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -98.31 120.86 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.5 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 95.5 m-85 -117.42 135.82 53.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.313 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.0 141.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.244 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt85 -154.58 161.64 41.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 171.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.528 ' HE1' ' HB2' ' A' ' 68' ' ' LEU . 48.3 p90 -146.16 163.19 36.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 176.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -145.21 129.58 17.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 5.0 pm0 -110.21 101.41 47.81 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.304 0.573 . . . . 0.0 110.298 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' ' 94' ' ' THR . 37.0 Cg_endo -68.78 -37.01 12.61 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.31 2.007 . . . . 0.0 111.957 177.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.47 120.88 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.332 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.19 176.81 19.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.157 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.11 -167.33 1.74 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.586 0.231 . . . . 0.0 110.542 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.03 173.48 13.52 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.076 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.3 m -140.59 122.21 15.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 83' ' ' LEU . 41.9 tp -100.74 118.96 37.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.042 0.449 . . . . 0.0 110.547 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -107.82 165.31 11.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.935 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.1 ttm -101.17 162.63 12.76 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 6.0 p -61.26 -20.12 62.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -78.63 -16.6 57.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.106 0.479 . . . . 0.0 110.767 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.12 -5.44 39.04 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -64.75 120.76 13.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.428 -0.386 . . . . 0.0 111.0 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.1 t -83.65 119.39 32.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 64.5 mt -88.93 140.59 29.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.367 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 91.1 mt -119.12 152.96 52.83 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 23.5 Cg_exo -64.94 158.22 52.59 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.859 2.372 . . . . 0.0 112.3 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 53.1 m-80 75.42 -61.17 0.48 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.194 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -75.44 162.5 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 111.415 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 48' ' ' PHE . 70.4 mt -111.43 138.78 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.619 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 71.8 m-85 -124.62 135.77 27.04 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.782 172.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 7.5 Cg_exo -72.1 139.84 33.34 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.781 2.321 . . . . 0.0 112.664 -177.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.15 113.9 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -84.83 6.18 5.86 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.882 2.388 . . . . 0.0 112.364 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -148.84 150.91 23.13 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.84 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.17 -38.32 11.13 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.043 0.449 . . . . 0.0 109.915 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -109.79 86.0 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.63 0.729 . . . . 0.0 109.521 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -118.54 175.82 5.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.392 -172.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.851 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 85.9 mtm180 -124.25 129.93 51.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 60' ' ' LEU . 91.2 mt -101.85 126.39 48.72 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -103.9 97.65 7.61 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.933 0.396 . . . . 0.0 110.955 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -85.2 117.77 24.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.222 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.3 m -90.73 110.96 22.15 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.0 m -71.19 110.25 5.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.66 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.59 13.27 21.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 m -136.63 158.4 44.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.321 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -109.21 -16.59 14.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.446 0.641 . . . . 0.0 109.726 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.76 -177.69 4.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.42 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.33 113.26 3.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.434 0.458 . . . . 0.0 111.852 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -97.72 112.29 24.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.47 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 23.7 m -101.2 105.8 16.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.869 0.366 . . . . 0.0 110.014 178.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.4 t -116.19 119.58 62.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.441 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 42.0 t0 -103.11 111.95 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.0 139.68 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -174.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.517 ' HB3' HD11 ' A' ' 106' ' ' LEU . 60.2 m-85 -120.84 122.37 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -111.05 113.07 25.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 171.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.55 ' HB3' HD13 ' A' ' 106' ' ' LEU . 11.3 pt20 -120.93 158.15 28.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.941 0.4 . . . . 0.0 111.23 -177.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -116.76 168.2 10.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 178.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 p -65.85 -24.14 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.461 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 86.3 t80 -79.88 -23.96 41.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.368 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.36 11.41 7.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.858 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -75.28 143.1 43.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.55 HD13 ' HB3' ' A' ' 100' ' ' GLN . 57.2 tp -141.8 120.19 12.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.223 0.535 . . . . 0.0 111.605 -175.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -110.23 109.62 20.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.203 174.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -106.55 119.26 38.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.188 0.518 . . . . 0.0 110.962 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.2 mt -116.3 110.55 18.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.179 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 6.6 m -93.25 118.09 30.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -111.11 124.59 52.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.774 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.3 t -109.91 112.22 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -91.18 151.11 21.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.262 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.64 ' HA ' ' HD3' ' A' ' 23' ' ' LYS . 63.5 m-80 62.41 54.07 2.6 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.784 0.677 . . . . 0.0 110.579 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 114' ' ' ASN . 14.2 m120 72.41 -179.01 0.21 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.752 -176.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -137.55 147.61 45.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.315 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.2 m -125.32 109.31 12.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.82 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.2 m -147.66 80.76 1.5 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.943 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -131.1 15.63 5.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.681 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 120' ' ' GLU . 33.2 mm-40 59.94 45.24 12.53 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.122 -174.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -62.91 -27.12 69.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.843 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 56.59 83.99 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.834 0.709 . . . . 0.0 111.46 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.8 mt -90.38 100.57 13.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.268 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 125' ' ' HIS . 42.3 tt0 -86.04 -20.78 28.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.377 -174.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 124' ' ' GLU . 4.9 m-70 68.17 5.67 4.79 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.1 0.476 . . . . 0.0 111.015 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -140.68 134.02 29.77 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.631 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 61.78 87.57 0.1 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 123.768 0.668 . . . . 0.0 111.291 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -141.39 150.64 42.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -76.0 130.63 38.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.69 0.281 . . . . 0.0 110.543 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.161 178.283 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 3.0 tpt . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -67.29 -67.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.347 . . . . 0.0 111.235 -174.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -140.54 -29.6 0.68 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.54 0.686 . . . . 0.0 110.064 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -78.49 57.59 2.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.697 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 1' ' ' MET . 7.3 p -104.11 -35.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.425 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.75 -19.15 27.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.155 0.503 . . . . 0.0 110.231 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -118.28 139.2 46.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.965 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -101.33 -40.4 7.13 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 43.3 tt0 56.18 23.42 7.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.613 173.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.9 m -109.1 109.35 20.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.004 0.43 . . . . 0.0 110.71 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.64 153.44 40.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.641 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.75 147.06 82.59 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.934 2.423 . . . . 0.0 112.479 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -82.39 143.88 30.9 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -119.33 126.14 50.72 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.502 HG12 ' HA ' ' A' ' 36' ' ' LEU . 57.2 mt -110.47 110.38 31.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.095 0.474 . . . . 0.0 110.247 177.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.82 137.15 32.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.835 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.512 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 21.9 p -109.9 136.47 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 -175.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.2 mmt -70.34 143.88 91.28 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.291 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -46.23 118.49 2.47 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.49 2.793 . . . . 0.0 113.459 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.9 m -92.4 154.35 42.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.849 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.82 125.52 14.39 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.077 1.851 . . . . 0.0 111.187 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.545 ' HD2' ' OD2' ' A' ' 116' ' ' ASP . 43.7 mtmt -72.01 -35.1 69.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.747 -176.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -111.97 121.27 44.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.117 177.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.27 162.77 20.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.189 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -119.47 161.18 20.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.937 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.57 112.34 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.999 0.428 . . . . 0.0 110.068 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.92 -2.92 33.69 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.773 -176.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.57 141.65 32.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.294 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 m -112.53 112.59 24.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.48 119.62 30.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.271 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -89.88 100.03 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.282 0.563 . . . . 0.0 110.464 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.711 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 37.3 mt -87.04 98.79 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.411 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.4 mtt85 -88.17 119.76 28.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.764 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.503 ' SG ' HG22 ' A' ' 17' ' ' THR . 25.0 m -118.2 140.55 49.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.01 -172.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -121.91 113.33 19.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HA ' HG12 ' A' ' 15' ' ' ILE . 7.8 tt -85.47 120.49 26.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.967 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -91.84 101.63 14.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.526 ' HE ' ' HG3' ' A' ' 79' ' ' GLU . 30.8 ptt180 -122.22 112.08 17.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.122 0.487 . . . . 0.0 110.697 176.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -87.81 147.28 25.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.249 0.547 . . . . 0.0 110.46 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.47 86.86 1.53 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.411 -0.813 . . . . 0.0 113.274 -172.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -96.08 -59.02 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 170.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -122.23 -46.23 2.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.615 170.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' HG2' ' H ' ' A' ' 44' ' ' GLU . 8.9 tt0 59.52 -153.91 0.38 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.905 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.483 ' H ' ' HG2' ' A' ' 43' ' ' GLU . 49.2 mt-10 56.12 27.79 12.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.406 0.622 . . . . 0.0 111.233 -178.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m -91.57 141.41 28.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.483 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.648 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -80.94 119.69 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.664 -177.363 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -98.13 123.33 42.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.706 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.474 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 83.8 m-85 -114.77 150.74 34.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.496 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.406 HD12 ' HE1' ' A' ' 99' ' ' PHE . 13.7 tt -130.24 138.62 53.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.321 -178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HB2' ' HA ' ' A' ' 70' ' ' PRO . 39.9 ptt180 -163.23 146.49 10.54 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 172.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' HE1' ' HB2' ' A' ' 68' ' ' LEU . 53.5 p90 -121.68 146.29 47.16 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.213 -177.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -106.17 124.2 49.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.466 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -114.53 95.93 41.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' A' ' 94' ' ' THR . 22.5 Cg_exo -65.03 -46.66 5.8 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.014 2.476 . . . . 0.0 112.579 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -150.88 142.05 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.277 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.47 -160.36 23.96 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.545 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.94 91.95 1.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.15 130.98 3.43 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.185 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.7 m -94.75 112.19 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.738 0.304 . . . . 0.0 110.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 83' ' ' LEU . 48.8 tp -100.97 109.87 21.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.271 0.557 . . . . 0.0 110.429 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.543 ' HG2' HG22 ' A' ' 67' ' ' VAL . 54.1 mtmt -106.13 160.44 15.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.429 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.7 ttp -92.24 169.49 10.56 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.563 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.6 p -53.6 -31.53 47.43 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.174 0.59 . . . . 0.0 112.399 -177.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.99 -6.98 52.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.323 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.39 -9.53 71.77 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -64.29 122.65 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.389 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' ' 61' ' ' LYS . 55.8 t -74.96 122.75 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.619 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 69.6 mt -87.06 141.89 28.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.836 0.35 . . . . 0.0 111.049 -173.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.52 ' HB3' ' OD1' ' A' ' 71' ' ' ASN . 3.1 mm? -127.35 154.36 77.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.18 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 72.6 Cg_endo -80.7 -22.89 6.16 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.399 2.066 . . . . 0.0 112.742 176.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.52 ' OD1' ' HB3' ' A' ' 69' ' ' LEU . 24.2 p-10 -89.6 -24.21 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.786 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -111.9 112.01 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.6 tp -87.0 117.23 25.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.121 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 85.2 m-85 -104.44 146.36 32.45 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.577 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 4.2 Cg_endo -86.77 155.29 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.977 2.451 . . . . 0.0 112.032 176.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -84.2 140.82 39.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.82 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -70.96 -31.56 15.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.649 2.233 . . . . 0.0 113.132 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.76 -163.83 30.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.038 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.526 ' HG3' ' HE ' ' A' ' 38' ' ' ARG . 1.9 mp0 -70.26 -46.63 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.7 m -98.78 106.34 18.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.097 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -131.37 163.4 27.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 56.0 mtt85 -124.69 131.65 53.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.488 -175.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.711 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 86.7 mt -106.37 119.03 38.18 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.987 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.8 100.08 11.63 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.282 0.563 . . . . 0.0 110.587 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -91.43 107.09 18.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.433 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -88.89 108.57 19.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.091 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 m -76.93 105.2 7.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.995 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.03 1.4 45.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.72 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.3 p -109.51 162.51 14.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.309 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -123.28 11.14 9.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.983 0.42 . . . . 0.0 110.638 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -137.89 -175.22 4.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.206 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' A' ' 113' ' ' PHE . 49.5 tt0 -60.57 133.31 55.97 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.349 0.595 . . . . 0.0 112.009 -174.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -142.96 135.92 28.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.197 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.462 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 62.2 m -110.75 127.55 55.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.229 0.538 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.57 120.28 57.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.691 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -102.11 113.06 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.8 114.54 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.741 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.36 118.86 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HE2' HD12 ' A' ' 109' ' ' LEU . 74.8 m-85 -109.23 115.34 29.83 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 170.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.474 ' HG3' ' HB2' ' A' ' 48' ' ' PHE . 10.5 pt20 -126.39 148.78 49.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.145 0.498 . . . . 0.0 112.321 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 105' ' ' GLN . 34.1 m-20 -88.03 163.78 16.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.336 173.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.465 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 11.6 p -73.16 -5.44 39.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.646 0.736 . . . . 0.0 109.587 170.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -79.73 -22.49 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.197 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.82 -12.73 35.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.691 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.464 ' HB3' ' OD2' ' A' ' 101' ' ' ASP . 7.6 tt0 -76.89 144.42 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 pp -147.95 149.35 32.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.405 0.621 . . . . 0.0 111.729 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -120.45 109.75 15.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.727 172.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -96.72 127.06 42.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.122 0.487 . . . . 0.0 110.372 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.439 HD12 ' HE2' ' A' ' 99' ' ' PHE . 82.5 mt -105.52 113.41 26.96 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.113 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 m -92.53 114.1 26.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.436 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.512 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.9 m-85 -105.9 118.28 36.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.556 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.1 m -108.93 108.1 18.72 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 92' ' ' GLN . 98.6 m-85 -83.92 115.08 22.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.67 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -157.43 148.21 21.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.551 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -85.9 118.4 25.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.833 -177.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.545 ' OD2' ' HD2' ' A' ' 22' ' ' LYS . 8.2 m-20 -59.39 116.06 3.68 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 p -170.08 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.474 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.2 m -101.71 99.62 9.89 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.034 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -84.6 142.2 30.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 166.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -47.73 -60.56 2.48 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.437 0.46 . . . . 0.0 111.67 -170.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -150.61 83.69 1.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.599 0.714 . . . . 0.0 110.687 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.56 109.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.586 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.6 mt -77.16 73.36 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.449 -175.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.87 9.72 3.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.3 175.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -100.41 24.36 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -62.59 -38.96 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.896 -1.047 . . . . 0.0 112.069 -169.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -72.99 -10.2 59.55 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 31.9 m170 65.45 94.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -122.02 -53.73 1.94 Allowed 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 166.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.4 t60 . . . . . 0 C--O 1.243 0.732 0 CA-C-N 114.174 -1.376 . . . . 0.0 108.357 168.755 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.496 0.189 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -109.41 88.56 2.77 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.352 0.596 . . . . 0.0 110.166 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -112.22 -26.99 8.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.194 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 5' ' ' VAL . 10.6 t70 64.03 -163.33 0.26 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.06 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 5.2 p -123.07 96.12 3.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.987 0.899 . . . . 0.0 109.077 176.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -88.31 171.9 9.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.939 -171.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.0 pt -93.17 35.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.175 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.473 ' HB2' ' HG3' ' A' ' 12' ' ' PRO . 17.5 pt20 -63.21 110.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.743 -176.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -140.87 170.78 15.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.909 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.6 p 51.24 25.42 2.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.595 0.758 . . . . 0.0 110.922 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.8 t80 51.37 96.42 0.04 OUTLIER Pre-proline 0 N--CA 1.463 0.201 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.65 -172.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HG3' ' HB2' ' A' ' 8' ' ' GLN . 94.1 Cg_endo -79.55 162.56 24.66 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.574 2.183 . . . . 0.0 111.1 174.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.851 ' HB2' ' HG2' ' A' ' 105' ' ' GLN . 84.7 m-85 -97.87 138.72 34.79 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.018 0.437 . . . . 0.0 110.468 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -123.95 124.15 41.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.546 ' HB ' ' NE2' ' A' ' 107' ' ' GLN . 12.8 mm -101.63 105.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.22 133.67 35.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.878 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 p -125.03 145.58 49.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -86.27 145.58 40.52 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.24 145.04 68.16 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.936 2.424 . . . . 0.0 112.743 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 32' ' ' ILE . 26.9 m -120.21 155.99 55.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.046 -177.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -60.45 144.76 99.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.645 2.23 . . . . 0.0 111.77 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -89.28 -40.44 12.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -175.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -98.73 111.14 23.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.39 123.8 45.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' ' 28' ' ' GLU . 22.3 pttm -86.13 164.69 17.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.639 177.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG13 ' HA ' ' A' ' 88' ' ' ALA . 43.3 t -70.28 126.71 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.81 0.338 . . . . 0.0 110.122 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.94 2.24 66.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.856 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 28.2 tt0 -90.07 145.21 25.24 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.6 m -111.57 118.13 34.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.899 0.38 . . . . 0.0 111.36 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.18 117.27 33.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.538 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -80.92 110.77 16.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 HG11 ' A' ' 20' ' ' VAL . 47.5 mt -93.08 99.51 9.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -78.43 127.58 32.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -125.26 126.8 45.71 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.528 -175.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.533 HE21 ' HA ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -119.21 113.28 20.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.542 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 tt -88.85 104.78 17.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -89.64 100.7 13.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 -173.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.635 HH22 HG21 ' A' ' 45' ' ' THR . 12.4 ptm180 -121.21 173.94 7.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.165 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.95 43.73 1.13 Allowed 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.526 0.679 . . . . 0.0 110.974 -175.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' O ' ' HD1' ' A' ' 42' ' ' PHE . . . 75.33 -58.79 2.83 Favored Glycine 0 CA--C 1.521 0.444 0 CA-C-N 115.707 -0.679 . . . . 0.0 114.023 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -63.08 120.18 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -171.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.75 ' HB2' ' HB ' ' A' ' 45' ' ' THR . 28.8 p90 -150.93 112.39 4.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.492 169.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -100.01 -82.56 0.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.179 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -86.64 5.32 36.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.484 0.659 . . . . 0.0 109.447 174.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.75 ' HB ' ' HB2' ' A' ' 42' ' ' PHE . 27.4 m -72.28 117.42 13.9 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.438 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -118.47 142.98 47.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.02 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.672 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 43.7 m-85 -97.38 124.49 41.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.888 -177.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' HB3' HD11 ' A' ' 73' ' ' LEU . 86.6 m-85 -124.8 148.2 48.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.704 0.288 . . . . 0.0 110.448 178.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.91 144.45 21.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -153.16 166.07 33.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 174.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.591 ' HE2' ' HB3' ' A' ' 68' ' ' LEU . 17.5 m-85 -132.0 164.74 25.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.776 -173.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.615 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 75.5 t80 -135.96 140.62 44.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -116.84 94.63 44.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.1 Cg_endo -76.37 -47.0 0.16 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.967 1.778 . . . . 0.0 111.685 175.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -147.08 137.68 23.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.22 -179.26 25.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.255 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.67 134.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.922 0.391 . . . . 0.0 110.572 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.56 133.81 3.58 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.859 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.3 m -87.66 110.68 20.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 83' ' ' LEU . 36.7 tp -100.69 119.58 38.8 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -109.71 149.45 29.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.6 ttm -82.65 166.74 18.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.466 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 3.8 p -52.22 -31.52 32.44 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.49 -2.13 37.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.658 0.266 . . . . 0.0 111.597 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.38 -5.7 77.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.205 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -59.93 117.73 5.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 122.524 0.33 . . . . 0.0 111.239 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -75.7 124.31 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.333 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.591 ' HB3' ' HE2' ' A' ' 51' ' ' TYR . 7.0 mt -103.06 127.54 50.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.967 -175.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.62 155.35 37.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.461 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.36 158.05 52.2 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.53 2.153 . . . . 0.0 112.89 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.7 t30 71.85 -37.17 0.38 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.276 1.03 . . . . 0.0 112.436 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.74 135.18 45.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 48' ' ' PHE . 35.3 tp -90.39 115.49 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.382 . . . . 0.0 110.955 -175.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 96.5 m-85 -103.89 146.15 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.95 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 11.3 Cg_endo -88.99 137.0 3.1 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.006 2.471 . . . . 0.0 111.692 173.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 92.7 mt -92.92 131.21 33.98 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.364 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.03 5.83 4.23 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.916 2.411 . . . . 0.0 112.993 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 173.09 -164.59 36.58 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.358 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -110.5 -11.82 14.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.355 0.597 . . . . 0.0 110.197 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 m -111.35 98.29 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.82 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -145.07 158.38 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.094 0.473 . . . . 0.0 111.242 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.466 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.572 ' HB3' HD11 ' A' ' 60' ' ' LEU . 85.2 mt -108.12 133.8 51.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.466 ' CE2' ' HA ' ' A' ' 63' ' ' SER . 68.0 m-85 -103.11 101.56 11.53 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.175 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -87.56 116.31 25.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.2 m -103.88 107.83 18.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.103 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 129.67 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -121.75 -0.96 9.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.875 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.583 ' OG ' ' HG2' ' A' ' 93' ' ' GLN . 24.3 p -122.19 152.22 40.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 176.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.0 m -91.26 -26.28 19.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.074 0.464 . . . . 0.0 110.966 -176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -94.41 -159.07 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.12 117.23 3.55 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.069 0.461 . . . . 0.0 111.388 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.915 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 61.0 mt-30 -101.77 111.99 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.326 177.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.496 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 5.8 m -115.6 105.62 12.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.923 0.392 . . . . 0.0 110.616 -178.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.77 114.14 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.576 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 5.1 t0 -92.74 111.41 23.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.3 t -108.86 131.51 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.702 0.286 . . . . 0.0 111.246 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.478 ' HB3' HD11 ' A' ' 106' ' ' LEU . 64.4 m-85 -115.91 122.01 44.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -108.9 113.6 26.65 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.564 ' HB3' HD13 ' A' ' 106' ' ' LEU . 20.7 pt20 -122.19 137.81 54.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.61 0.719 . . . . 0.0 111.614 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -112.51 155.25 24.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.761 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.616 ' OG ' ' HA ' ' A' ' 45' ' ' THR . 11.2 p -74.28 0.47 14.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.944 0.402 . . . . 0.0 111.709 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -78.71 -14.05 59.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.179 0.514 . . . . 0.0 109.673 171.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.08 1.62 45.09 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.699 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.851 ' HG2' ' HB2' ' A' ' 13' ' ' PHE . 11.2 tp60 -80.24 125.85 30.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 100' ' ' GLN . 59.7 tp -128.33 116.23 19.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.024 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.546 ' NE2' ' HB ' ' A' ' 15' ' ' ILE . 7.6 tt0 -114.33 118.17 33.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -97.26 146.27 25.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.997 0.427 . . . . 0.0 110.518 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.78 114.59 12.79 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 m -94.52 112.66 24.43 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.019 0.438 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.68 119.36 37.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -105.24 108.2 19.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.544 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.915 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 93.2 m-85 -101.69 144.02 30.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.934 -177.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 63.23 84.78 0.14 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 124.151 0.907 . . . . 0.0 110.089 -176.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 72.24 132.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.192 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.25 89.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.8 p 58.85 165.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.521 1.128 . . . . 0.0 111.878 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -79.91 58.95 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.557 0.694 . . . . 0.0 110.488 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 119' ' ' LYS . 6.4 ttpm? -84.24 83.99 7.78 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.441 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -116.29 -160.55 0.76 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.369 -0.832 . . . . 0.0 108.925 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -59.53 111.96 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 126' ' ' HIS . 1.5 tm-20 -95.45 119.09 33.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.838 -161.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 pp -151.95 20.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.058 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.513 ' HG3' ' CD2' ' A' ' 125' ' ' HIS . 7.7 pt-20 -143.74 -31.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.513 ' CD2' ' HG3' ' A' ' 124' ' ' GLU . 71.4 m-70 -87.58 -36.11 17.72 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.417 ' H ' ' CD ' ' A' ' 122' ' ' GLU . 44.2 m80 63.53 -76.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.995 -1.002 . . . . 0.0 113.169 173.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 63.72 -90.59 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.82 0.448 . . . . 0.0 110.089 -172.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -155.01 51.19 0.6 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -58.23 99.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.142 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.469 179.273 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 p30 42.31 34.54 0.52 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.206 1.003 . . . . 0.0 112.07 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -117.16 159.08 23.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.677 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.1 t70 62.96 -92.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.732 0.645 . . . . 0.0 109.619 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 p 49.96 18.01 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.577 1.151 . . . . 0.0 113.49 171.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 66.18 163.13 0.17 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.201 0.524 . . . . 0.0 111.362 -177.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.4 mt 62.24 83.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -86.49 49.37 1.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.181 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -57.99 -40.88 81.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.703 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 33.1 p 50.45 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 173.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' A' ' 10' ' ' SER . 27.5 m-85 78.43 156.88 0.14 Allowed Pre-proline 0 N--CA 1.47 0.575 0 C-N-CA 124.208 1.003 . . . . 0.0 110.566 -172.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.28 163.29 20.7 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.476 2.117 . . . . 0.0 111.641 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 38' ' ' ARG . 19.0 m-85 -63.98 138.61 58.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.141 0.496 . . . . 0.0 111.212 -175.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -127.57 125.63 40.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.812 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 36' ' ' LEU . 51.1 mt -101.52 115.24 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.942 0.401 . . . . 0.0 110.494 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -93.81 116.34 28.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.465 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 32.2 p -93.23 135.82 34.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.437 ' HG3' ' HB2' ' A' ' 33' ' ' ARG . 95.9 mmm -64.53 134.31 95.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -49.75 124.13 11.82 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.474 2.782 . . . . 0.0 112.573 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.464 ' HB ' ' HD2' ' A' ' 21' ' ' PRO . 15.8 m -79.15 157.74 75.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.931 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.629 ' HG2' ' HA ' ' A' ' 116' ' ' ASP . 97.7 Cg_endo -85.4 171.22 8.89 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.58 2.853 . . . . 0.0 114.173 -171.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -107.55 10.66 29.18 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.093 -177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -140.33 136.84 33.62 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.09 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.027 HD12 ' H ' ' A' ' 116' ' ' ASP . 0.6 OUTLIER -142.75 146.4 34.26 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.719 0.295 . . . . 0.0 110.385 179.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 50.8 mttm -109.04 136.14 49.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.74 111.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 0.0 110.352 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.11 -2.42 29.91 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.735 -175.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . 8.2 tp10 -95.56 158.29 15.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.941 0.4 . . . . 0.0 110.233 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 30.0 m -107.72 140.61 40.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.49 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.28 122.23 47.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.644 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 84' ' ' TYR . 20.2 pt-20 -88.82 100.36 13.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mt -84.35 102.89 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.299 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HB2' ' HG3' ' A' ' 18' ' ' MET . 96.0 mtt180 -87.39 119.83 28.07 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.155 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 17' ' ' THR . 31.9 m -120.29 127.37 52.31 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -112.02 112.81 24.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.196 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 15' ' ' ILE . 10.6 tt -89.12 120.85 30.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.9 114.56 21.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -124.54 172.34 9.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.096 0.474 . . . . 0.0 111.453 -176.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 4.6 t70 -98.52 151.23 20.86 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.226 178.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.9 -5.5 38.39 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.298 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 41' ' ' ARG . 44.6 ttt-85 -75.71 -34.24 60.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.912 0.386 . . . . 0.0 110.236 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -85.18 26.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 63.76 -96.16 0.05 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.171 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -161.03 100.65 1.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.071 -172.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -92.3 171.6 8.96 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.85 129.06 46.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.827 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 33.0 m-85 -103.93 148.3 26.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.718 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 95.1 m-85 -125.32 139.62 53.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.631 0.253 . . . . 0.0 110.667 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -124.72 131.09 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.38 0.61 . . . . 0.0 111.388 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -152.2 142.5 22.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 174.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.638 ' HE2' HE21 ' A' ' 53' ' ' GLN . 37.4 p90 -133.31 166.45 22.46 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.48 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -136.78 122.82 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.638 HE21 ' HE2' ' A' ' 51' ' ' TYR . 9.8 pt20 -113.1 105.0 55.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 121.165 0.507 . . . . 0.0 110.368 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.45 -20.66 18.03 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 123.014 2.476 . . . . 0.0 111.785 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -97.67 153.66 18.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.959 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.17 96.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.522 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.577 ' HB1' ' OH ' ' A' ' 85' ' ' TYR . . . -117.09 -158.72 0.71 Allowed 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.623 0.249 . . . . 0.0 111.423 -174.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.85 -161.07 27.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.073 -174.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.6 m -105.75 128.3 53.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.461 -0.369 . . . . 0.0 110.841 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' ' 83' ' ' LEU . 60.8 tp -102.23 123.19 45.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -109.69 161.89 14.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.17 0.509 . . . . 0.0 110.043 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.3 ttp -107.56 157.76 17.78 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 171.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -56.36 -20.1 17.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -70.18 -21.79 63.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.382 0.611 . . . . 0.0 110.46 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.18 -7.04 34.83 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.62 132.37 46.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.397 -0.401 . . . . 0.0 111.126 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.9 t -88.92 126.0 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.6 mt -94.5 112.3 24.06 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.052 0.453 . . . . 0.0 110.841 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 69' ' ' LEU . 3.5 mm? -96.63 144.36 27.71 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.761 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.54 -2.07 8.58 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.967 2.445 . . . . 0.0 112.461 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -85.31 -33.93 21.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.601 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.3 163.51 15.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.955 0.407 . . . . 0.0 111.637 -171.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 48' ' ' PHE . 60.5 tp -107.2 119.15 38.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.297 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -102.61 148.1 35.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -85.75 132.07 4.03 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.503 2.135 . . . . 0.0 112.472 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.827 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 77.3 mt -83.49 115.8 61.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.203 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.22 5.59 5.88 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.038 2.492 . . . . 0.0 113.403 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -156.89 152.23 23.59 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.839 -177.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HG2' ' NE ' ' A' ' 38' ' ' ARG . 2.3 mp0 -79.35 -42.91 24.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.272 178.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.3 p -102.8 101.51 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.402 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -126.7 150.46 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.51 . . . . 0.0 111.402 -172.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -114.85 135.35 54.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.951 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.569 ' HB3' HD11 ' A' ' 60' ' ' LEU . 83.8 mt -109.51 136.09 49.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.768 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 40.1 m-85 -106.21 100.94 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.372 0.606 . . . . 0.0 111.056 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.577 ' OH ' ' HB1' ' A' ' 57' ' ' ALA . 42.8 t80 -98.83 107.7 20.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 18.7 m -88.2 107.28 18.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -92.55 139.63 30.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.56 20.11 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.197 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.586 ' HB3' ' NE2' ' A' ' 93' ' ' GLN . 9.4 t -130.95 152.17 50.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.104 -178.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 m -111.28 2.81 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.544 0.687 . . . . 0.0 109.883 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.37 174.56 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.596 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.4 103.56 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.4 0.619 . . . . 0.0 109.606 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.586 ' NE2' ' HB3' ' A' ' 89' ' ' SER . 21.8 mt-30 -94.23 119.2 32.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.412 -173.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.7 m -88.54 105.93 17.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 0.0 110.347 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 t -108.64 101.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -97.16 110.92 23.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -106.31 134.5 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.091 0.472 . . . . 0.0 111.077 -173.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.529 ' HB3' HD11 ' A' ' 106' ' ' LEU . 57.1 m-85 -111.86 116.45 30.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.404 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.97 112.81 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.867 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.606 ' HB3' HD13 ' A' ' 106' ' ' LEU . 4.5 pt20 -124.65 164.38 20.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.682 -178.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.07 175.41 9.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.615 -177.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.9 m -72.99 -21.33 60.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.083 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -79.89 -14.71 58.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.55 9.79 20.67 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.107 -1.044 . . . . 0.0 114.138 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -83.58 155.42 23.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.645 0.723 . . . . 0.0 110.175 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 100' ' ' GLN . 35.5 tp -147.08 116.07 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.42 114.53 27.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.414 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -92.73 128.47 38.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.179 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.6 mt -120.39 109.11 14.94 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 m -99.29 113.65 26.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.88 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.465 ' HZ ' HG21 ' A' ' 17' ' ' THR . 92.8 m-85 -109.88 122.73 48.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.221 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 p -95.38 107.43 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -90.8 165.36 13.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.838 -177.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.599 HD22 ' N ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -166.4 -49.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.97 -179.082 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.6 ' HA ' ' HB2' ' A' ' 24' ' ' LEU . 43.6 m-80 -148.79 72.78 1.2 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 1.027 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.2 m-20 -131.16 81.32 1.98 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.514 -172.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.662 ' HB2' HD23 ' A' ' 24' ' ' LEU . 45.4 t -113.54 122.87 48.56 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.582 ' O ' ' HG2' ' A' ' 119' ' ' LYS . 28.5 p -70.28 102.21 2.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.514 -176.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 118' ' ' SER . 22.8 pttm 51.16 -171.8 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.364 1.04 . . . . 0.0 112.645 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.53 173.83 14.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.305 173.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -134.72 126.49 29.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.69 -33.53 74.16 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.771 0.319 . . . . 0.0 111.421 -174.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 123' ' ' LEU . 2.1 tm? -99.33 90.9 4.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.9 -71.3 0.56 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 50.29 -92.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 O-C-N 124.251 0.969 . . . . 0.0 110.715 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -164.36 101.78 0.84 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.257 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -141.94 128.17 19.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.049 0.452 . . . . 0.0 109.964 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -81.28 125.0 29.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.158 -174.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -121.32 129.33 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.513 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.9 t60 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.892 179.845 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.825 0.345 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -167.44 102.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.774 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -149.31 104.4 3.39 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.65 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -85.83 126.43 34.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.596 0.713 . . . . 0.0 111.194 -176.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 6' ' ' ASP . 42.2 t -111.47 -26.29 3.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.354 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 5' ' ' VAL . 6.2 m-20 71.37 112.0 0.06 Allowed 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.357 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 pt -85.24 68.49 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.154 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 53.4 mt-30 -62.62 -70.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.876 176.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 8' ' ' GLN . 35.6 tt0 173.8 -35.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.11 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -76.02 53.7 0.8 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.094 -177.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.577 ' HB3' ' HD3' ' A' ' 12' ' ' PRO . 15.8 t80 -80.63 -45.94 1.28 Allowed Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 175.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 11' ' ' TYR . 10.7 Cg_endo -91.64 111.65 0.32 Allowed 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 122.193 1.929 . . . . 0.0 110.516 166.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -68.51 139.2 55.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.193 0.52 . . . . 0.0 112.021 -171.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.0 m -105.23 119.84 40.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.418 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.97 122.78 61.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.282 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.83 142.47 37.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.104 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.9 p -122.39 131.13 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.109 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 79.4 mtp -69.2 133.89 89.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -43.65 125.93 5.25 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.688 2.925 . . . . 0.0 113.092 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.1 m -86.37 164.51 37.78 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.908 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.45 148.01 82.85 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.743 2.295 . . . . 0.0 112.01 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -81.72 -45.05 16.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.644 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -124.9 136.98 54.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.758 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 87' ' ' SER . 65.6 mt -119.18 115.45 24.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.738 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -77.58 153.25 33.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.501 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.02 114.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.767 0.318 . . . . 0.0 110.281 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.63 3.54 22.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.616 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -91.12 149.09 21.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.563 -0.374 . . . . 0.0 110.533 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.9 m -120.13 107.51 13.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.158 0.504 . . . . 0.0 110.082 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.06 126.16 34.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.508 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 39.5 mt-10 -87.92 100.32 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.28 175.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.909 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 57.2 mt -80.51 99.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 175.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HG2' ' HG2' ' A' ' 82' ' ' ARG . 32.5 mtm-85 -88.28 115.5 25.82 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.252 0.548 . . . . 0.0 110.498 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.2 t -125.39 134.75 52.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.433 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -138.27 121.04 16.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.136 0.494 . . . . 0.0 111.059 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 10.2 tt -75.68 112.71 12.33 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 168.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -82.78 100.33 10.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.398 0.618 . . . . 0.0 111.212 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' NH1' ' HB3' ' A' ' 42' ' ' PHE . 18.4 ttm-85 -126.97 149.04 50.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.84 176.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -76.49 -52.73 9.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.2 0.524 . . . . 0.0 109.832 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.25 -156.03 23.68 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.305 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 61.09 79.51 0.25 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.276 0.56 . . . . 0.0 111.303 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.544 ' HB3' ' NH1' ' A' ' 38' ' ' ARG . 36.6 p90 -147.82 122.43 9.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.904 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -131.47 -27.55 1.95 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.849 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -110.78 -30.64 7.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.449 -172.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.32 107.39 3.27 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.854 -176.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -107.26 138.39 43.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.352 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.886 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 28.2 m-85 -99.19 150.59 21.9 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.48 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.613 ' HB2' ' HB2' ' A' ' 100' ' ' GLN . 91.9 m-85 -132.77 154.45 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.8 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.9 tt -141.72 141.56 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -152.95 166.53 32.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' HE1' HD13 ' A' ' 68' ' ' LEU . 87.7 m-85 -136.5 166.3 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.894 0.378 . . . . 0.0 111.922 -177.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -157.83 114.63 2.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.781 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -109.53 112.22 58.96 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.05 175.767 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 53' ' ' GLN . 3.5 Cg_exo -80.87 -7.19 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 123.179 2.586 . . . . 0.0 112.37 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -128.57 -175.71 3.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.891 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.31 127.14 7.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.294 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.07 -173.36 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.594 0.235 . . . . 0.0 110.908 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.04 -137.92 9.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.157 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.3 m -110.31 134.22 52.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.81 0.338 . . . . 0.0 110.668 -178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' A' ' 85' ' ' TYR . 44.2 tp -125.58 125.78 43.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -177.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 50.2 mtmt -135.2 159.77 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.4 ttp -83.73 159.2 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -52.45 -26.0 11.58 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.26 -23.42 54.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.42 -3.62 15.67 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.4 m -73.65 118.12 16.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.101 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.558 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 40.7 t -69.79 128.99 33.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.611 HD13 ' HE1' ' A' ' 51' ' ' TYR . 57.5 mt -101.92 99.51 9.71 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 81.7 mt -102.9 154.65 37.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.993 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 16.4 Cg_exo -69.59 -9.98 27.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.143 2.562 . . . . 0.0 112.276 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -76.04 -38.62 56.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -113.39 156.13 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.051 0.453 . . . . 0.0 111.547 -173.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -106.78 112.42 25.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 42.5 m-85 -96.29 136.11 22.17 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.694 -173.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 74' ' ' TYR . 6.2 Cg_exo -79.63 136.92 12.53 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.667 2.245 . . . . 0.0 111.527 174.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.886 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.9 mt -89.14 114.91 62.14 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.084 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.15 -3.66 14.16 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.4 160.06 32.28 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.744 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 4.1 pt-20 -90.61 -13.26 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.094 0.474 . . . . 0.0 110.778 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 111.7 21.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.154 176.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -154.71 166.63 32.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 -175.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HG2' ' HG2' ' A' ' 33' ' ' ARG . 97.2 mtt180 -118.77 147.46 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.459 176.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.909 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 39.1 mt -115.47 134.26 55.25 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.772 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 57.0 m-85 -110.97 110.1 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.501 ' HB2' HD13 ' A' ' 60' ' ' LEU . 74.0 t80 -107.93 122.95 47.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.828 178.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.9 m -97.6 117.0 30.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.879 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.425 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 2.5 p -74.85 115.93 15.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.187 0.518 . . . . 0.0 111.504 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.09 21.11 4.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.236 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -119.68 162.83 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.665 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 p -123.12 -0.08 8.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.961 0.41 . . . . 0.0 111.908 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -113.44 -167.42 1.2 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -72.26 111.59 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.712 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 21.8 mt-30 -83.07 111.04 18.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.347 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -105.64 109.03 20.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.142 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.63 117.94 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' A' ' 110' ' ' THR . 34.3 t0 -96.36 118.28 32.57 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.517 HG22 ' HE2' ' A' ' 51' ' ' TYR . 40.5 t -99.1 126.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.755 -176.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -107.06 118.5 36.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.687 0.279 . . . . 0.0 111.149 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -109.85 133.37 53.23 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.724 ' HG2' HD22 ' A' ' 106' ' ' LEU . 25.8 mt-30 -132.7 150.04 52.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.73 0.3 . . . . 0.0 110.951 -177.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 159.21 17.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.789 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.1 p -71.24 -9.65 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.748 0.785 . . . . 0.0 109.535 173.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.79 -17.06 56.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 98.36 18.38 26.38 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.035 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.59 138.53 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -122.0 116.0 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.213 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -126.57 109.59 12.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 4.5 pt20 -114.24 133.23 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.302 0.573 . . . . 0.0 111.42 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.46 113.19 18.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.923 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' ASP . 13.7 m -94.16 113.88 25.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.837 0.351 . . . . 0.0 110.535 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.04 136.54 41.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.671 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.0 p -120.33 108.53 14.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.712 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 98.3 m-85 -93.64 154.78 17.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 65.3 t30 68.78 22.45 7.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.518 0.675 . . . . 0.0 111.175 173.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -93.37 115.05 27.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -100.34 7.08 44.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.63 -174.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.6 p 45.43 72.61 0.2 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.361 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 119' ' ' LYS . 15.7 m -73.5 178.82 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.521 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD2' ' HB2' ' A' ' 121' ' ' GLU . 21.7 pttp 55.06 163.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.815 1.246 . . . . 0.0 113.584 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -85.77 -21.18 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.646 0.736 . . . . 0.0 109.106 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' A' ' 119' ' ' LYS . 40.6 mt-10 -70.35 111.03 5.63 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.412 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.47 ' OE2' ' HA ' ' A' ' 125' ' ' HIS . 21.7 pt-20 -134.36 147.92 50.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.488 177.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.31 102.38 2.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 66.41 120.48 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.248 -172.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.47 ' HA ' ' OE2' ' A' ' 122' ' ' GLU . 29.6 t-80 -53.93 118.35 3.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.714 178.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -62.37 147.5 48.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.573 0.702 . . . . 0.0 112.314 -172.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -87.32 177.66 7.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.12 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -81.9 -171.29 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.299 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 46.8 t60 63.43 53.86 2.07 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.3 m80 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.799 177.835 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -146.68 100.01 3.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.42 0.629 . . . . 0.0 109.641 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -139.79 -21.17 0.89 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.568 -178.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -95.88 -150.84 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.442 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.19 32.57 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.691 0.758 . . . . 0.0 110.653 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -75.66 53.09 0.69 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.597 0.713 . . . . 0.0 111.222 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 pt -86.22 2.43 4.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.179 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.47 125.54 24.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.443 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 66.6 11.1 7.91 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.771 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.5 t -99.49 136.09 39.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -101.08 104.7 34.26 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 -175.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -77.15 126.08 8.33 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.53 2.153 . . . . 0.0 111.495 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -77.22 138.01 39.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.077 0.465 . . . . 0.0 110.057 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t -106.6 128.49 54.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.58 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.477 ' HA ' ' O ' ' A' ' 35' ' ' GLN . 57.8 mt -132.24 105.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 109.866 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -104.68 153.75 20.85 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.479 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.514 HG21 ' HZ ' ' A' ' 111' ' ' PHE . 41.1 p -119.37 143.15 47.59 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.409 -177.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.6 mtt -72.79 147.93 89.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.55 127.84 23.96 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.162 2.575 . . . . 0.0 112.662 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 m -105.11 155.68 37.33 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.562 -174.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 127.39 10.09 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.753 2.302 . . . . 0.0 110.997 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.81 -27.67 40.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.047 0.451 . . . . 0.0 110.454 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -110.0 121.58 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.271 0.558 . . . . 0.0 110.51 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 HE21 ' A' ' 93' ' ' GLN . 85.0 mt -122.6 170.74 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.502 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HD3' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.77 152.86 41.73 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 89' ' ' SER . 20.3 t -58.01 121.26 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 173.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.3 -15.75 58.67 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.148 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' HG3' ' HD3' ' A' ' 25' ' ' LYS . 13.6 mm-40 -79.23 125.52 29.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.433 . . . . 0.0 109.954 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.8 m -100.62 117.13 34.12 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.187 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.33 113.75 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -78.96 108.82 12.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.845 176.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -102.81 99.91 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -83.39 133.06 34.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.486 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.9 m -116.87 146.9 42.62 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.771 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 7.1 tp60 -116.9 112.78 21.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 7.5 tt -99.8 122.01 42.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -129.92 117.13 19.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.199 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 9.5 ptm180 -146.82 114.37 6.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.082 172.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -82.46 -166.3 1.25 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.48 33.53 7.5 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.131 -177.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 70.05 116.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.441 0.696 . . . . 0.0 111.774 176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -82.15 97.16 8.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.877 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -108.02 -132.18 0.32 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.056 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.95 23.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.982 0.42 . . . . 0.0 110.744 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m -68.97 105.74 2.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.713 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 102' ' ' SER . 67.7 mttm -99.21 140.21 33.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.116 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.837 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 55.8 m-85 -102.01 146.42 27.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.094 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 78.0 m-85 -127.73 150.1 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 0.0 110.758 -178.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.87 140.35 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.702 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 26.2 ttp180 -162.1 135.5 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.655 ' HE2' HE21 ' A' ' 53' ' ' GLN . 39.3 p90 -138.41 166.79 23.36 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.541 -173.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -132.75 125.17 29.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.778 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.655 HE21 ' HE2' ' A' ' 51' ' ' TYR . 6.8 pt20 -112.87 94.48 29.45 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.73 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.36 -46.87 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.447 2.098 . . . . 0.0 112.673 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -116.37 -28.99 6.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.064 -176.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 92' ' ' GLN . . . -72.4 94.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.567 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 89' ' ' SER . . . -83.42 98.57 9.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.196 0.522 . . . . 0.0 110.764 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.6 161.17 32.97 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.097 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.47 ' HB ' ' HB ' ' A' ' 86' ' ' THR . 29.7 m -98.13 114.29 26.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 83' ' ' LEU . 38.0 tp -94.24 116.96 29.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.533 . . . . 0.0 110.665 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 84' ' ' TYR . 50.6 mttm -106.26 151.07 25.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.228 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 45.7 ttm -82.29 164.28 21.25 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.403 ' HA ' ' HE2' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -54.93 -23.6 19.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.118 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -86.83 -15.73 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.698 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.75 -6.09 24.2 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.06 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.1 m -67.61 125.62 26.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.765 0.283 . . . . 0.0 111.521 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.44 121.26 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.8 mt -91.47 118.81 30.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.339 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 4.1 mm? -76.15 124.56 88.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 171.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 88.5 Cg_exo -47.33 -49.23 13.4 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.498 2.798 . . . . 0.0 114.022 -172.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -87.38 4.41 43.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -103.48 144.92 30.76 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.968 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 48' ' ' PHE . 33.2 tp -93.71 111.31 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.696 -178.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -105.07 151.88 39.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -86.05 147.3 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.645 2.23 . . . . 0.0 112.184 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.837 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 91.3 mt -94.84 129.75 35.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.297 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.85 -23.72 30.05 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.932 2.421 . . . . 0.0 113.106 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.28 -177.43 39.93 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.042 -1.075 . . . . 0.0 112.856 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -82.79 -34.43 27.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -94.42 40.99 1.09 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.219 -177.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -75.18 163.56 27.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.343 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.87 145.74 52.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.649 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' A' ' 60' ' ' LEU . 96.0 mt -116.45 139.48 50.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 61' ' ' LYS . 91.0 m-85 -117.2 109.35 16.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 0.0 110.983 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -95.32 106.35 18.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.619 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.47 ' HB ' ' HB ' ' A' ' 59' ' ' THR . 17.9 m -86.95 106.75 18.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.543 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -66.88 130.38 42.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.97 23.78 3.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.713 0.292 . . . . 0.0 111.648 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.565 ' O ' HG22 ' A' ' 26' ' ' VAL . 15.8 t -126.3 -178.76 4.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -61.12 -43.4 98.94 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 149.28 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.446 -1.706 . . . . 0.0 110.38 150.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.557 ' O ' ' HA2' ' A' ' 56' ' ' GLY . 5.9 tm0? -105.39 118.1 35.7 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.072 168.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 17.3 mp0 -119.72 108.17 14.1 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.817 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 m -143.6 105.55 4.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.819 171.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.95 135.03 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.086 -174.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -101.37 112.2 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.9 t -103.84 116.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.467 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 91.7 m-85 -93.12 126.82 38.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.319 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.456 ' CE2' HD12 ' A' ' 109' ' ' LEU . 81.5 m-85 -109.02 114.46 28.22 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.569 ' HB3' ' HB2' ' A' ' 48' ' ' PHE . 11.3 tt0 -108.33 120.43 42.37 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.788 -169.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -91.03 152.47 20.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.912 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 17.4 t -67.99 -15.28 63.54 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.676 -175.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -79.47 -9.18 59.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.3 10.8 33.09 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 177.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -103.17 126.48 50.36 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.486 ' HB3' ' HG3' ' A' ' 100' ' ' GLN . 3.1 pp -123.21 135.01 54.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.131 0.491 . . . . 0.0 110.346 177.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.432 HE22 ' HB ' ' A' ' 15' ' ' ILE . 9.5 tt0 -110.71 118.26 35.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.47 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -90.33 107.64 19.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.282 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.456 HD12 ' CE2' ' A' ' 99' ' ' PHE . 67.7 mt -100.91 115.12 29.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.833 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.6 m -92.73 120.8 33.49 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.47 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.514 ' HZ ' HG21 ' A' ' 17' ' ' THR . 97.1 m-85 -105.51 118.0 35.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 m -128.26 109.7 11.72 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.613 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 2.3 m-85 -93.75 117.72 30.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.301 -177.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -82.96 83.13 7.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.52 0.676 . . . . 0.0 109.804 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -73.05 -5.35 38.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.497 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.91 -20.57 60.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.254 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.0 m 59.35 42.74 17.63 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.997 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.59 113.13 8.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.879 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.13 -18.74 52.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.665 0.269 . . . . 0.0 110.895 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -74.9 153.01 38.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.14 96.26 8.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.854 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -147.51 -67.16 0.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.91 83.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.537 0.684 . . . . 0.0 111.378 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 174.33 -21.94 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.089 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -53.02 134.17 38.19 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.615 175.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -63.47 112.09 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.54 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -76.98 169.91 17.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.672 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -65.46 -173.78 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -65.82 -24.65 66.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.93 170.106 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.137 0.494 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -131.79 138.84 48.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.09 149.77 40.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.621 0.248 . . . . 0.0 110.355 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -60.22 112.26 1.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.097 0.475 . . . . 0.0 112.11 -170.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 m -83.51 158.46 3.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.004 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -131.07 82.22 2.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.928 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.8 mm 64.7 113.1 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.557 0.694 . . . . 0.0 111.918 175.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' A' ' 37' ' ' HIS . 29.8 pt20 -84.52 -4.93 59.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.197 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' HB3' ' HE2' ' A' ' 11' ' ' TYR . 98.7 mt-30 59.11 72.18 0.54 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.036 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 67.6 m -82.38 110.46 17.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.499 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.636 ' HB2' ' HD3' ' A' ' 12' ' ' PRO . 95.0 m-85 -120.95 -61.99 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.148 173.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.636 ' HD3' ' HB2' ' A' ' 11' ' ' TYR . 78.3 Cg_endo -80.94 159.34 21.04 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.393 1.395 . . . . 0.0 111.924 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.96 135.57 38.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -177.396 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 38' ' ' ARG . 13.3 t -168.1 110.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 167.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.474 HD11 ' HE1' ' A' ' 13' ' ' PHE . 41.1 mt -129.64 133.04 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.565 0.222 . . . . 0.0 111.341 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.35 135.45 43.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.456 HG21 HD13 ' A' ' 109' ' ' LEU . 36.9 p -119.36 126.97 52.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.554 -173.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.472 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.5 mpt? -72.23 130.2 86.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 18' ' ' MET . 32.1 Cg_exo -58.4 146.31 90.55 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.05 2.5 . . . . 0.0 112.805 -177.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.455 HG11 HG12 ' A' ' 32' ' ' ILE . 28.7 m -96.4 167.05 12.98 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.561 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 20' ' ' VAL . 32.9 Cg_exo -57.65 141.94 95.6 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.324 2.016 . . . . 0.0 111.362 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -71.18 -48.29 52.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.331 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -108.17 138.03 45.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.503 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.6 mt -133.0 151.65 52.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.094 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -110.22 161.8 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.954 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.56 111.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.61 2.77 32.71 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.993 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -88.62 158.89 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 m -127.13 119.71 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 110.787 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.26 114.1 27.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -84.86 102.01 12.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.235 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 83' ' ' LEU . 31.1 mt -82.4 98.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 176.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -82.45 114.56 20.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.424 ' SG ' HG22 ' A' ' 17' ' ' THR . 25.5 m -121.09 126.69 50.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -114.02 120.35 40.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.999 0.428 . . . . 0.0 110.205 174.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -85.84 121.2 28.16 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 172.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.439 ' HA ' ' OE1' ' A' ' 8' ' ' GLN . 22.9 t-80 -128.81 106.31 8.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.66 -174.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.6 mmm180 -118.61 173.0 7.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 112.829 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.06 -32.11 7.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.298 -176.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.76 -129.2 7.19 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.755 -177.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? 71.89 -67.77 0.25 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.589 0.756 . . . . 0.0 112.108 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 12' ' ' PRO . 95.6 m-85 -65.95 162.0 20.14 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -169.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -112.41 129.27 56.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.173 -176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 46.33 83.82 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.978 0.799 . . . . 0.0 113.111 171.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 102' ' ' SER . 6.1 m -137.77 113.98 10.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.96 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.26 159.07 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' ' 76' ' ' LEU . 65.8 m-85 -109.4 133.25 53.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.836 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.506 ' HB3' HD21 ' A' ' 73' ' ' LEU . 83.1 m-85 -124.93 136.78 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.385 . . . . 0.0 110.884 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.0 tt -111.94 133.66 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.476 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' A' ' 98' ' ' TYR . 23.0 ttp180 -156.21 106.22 2.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.346 176.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.502 ' CB ' ' HA ' ' A' ' 97' ' ' VAL . 19.5 p90 -105.31 158.7 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.485 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.435 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 69.5 t80 -122.76 144.35 49.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.957 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -110.28 94.69 19.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 94' ' ' THR . 24.3 Cg_exo -63.66 -38.01 43.25 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.109 1.873 . . . . 0.0 110.149 173.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.73 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 30.9 m-20 -108.99 106.82 16.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 171.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.95 72.69 1.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.499 -174.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.55 122.27 9.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.496 0.188 . . . . 0.0 110.501 176.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.25 154.52 9.41 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.616 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.478 HG22 ' HG3' ' A' ' 61' ' ' LYS . 90.4 m -122.32 111.85 17.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.725 0.298 . . . . 0.0 110.506 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 83' ' ' LEU . 53.2 tp -94.03 115.33 27.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HG3' HG22 ' A' ' 59' ' ' THR . 36.1 mtmm -120.4 152.98 37.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.733 0.301 . . . . 0.0 110.669 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.6 ttm -84.92 163.09 19.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -57.83 -20.35 35.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -89.27 -7.56 55.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.747 0.308 . . . . 0.0 110.802 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.13 -3.07 37.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.06 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.2 m -68.31 124.55 23.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.725 0.298 . . . . 0.0 111.278 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' HG2' ' A' ' 61' ' ' LYS . 48.4 t -81.93 116.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.815 176.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD12 ' HG ' ' A' ' 60' ' ' LEU . 43.7 mt -84.88 122.38 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.816 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.7 mt -93.05 143.26 26.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-O 120.864 0.364 . . . . 0.0 111.196 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.3 132.84 40.43 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.489 2.126 . . . . 0.0 111.883 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t30 73.08 -6.42 1.71 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.439 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -88.96 150.9 22.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 48' ' ' PHE . 6.7 tt -118.72 129.3 55.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.707 0.289 . . . . 0.0 111.029 -170.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -131.11 156.8 79.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.909 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.44 149.39 11.61 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.886 2.39 . . . . 0.0 111.84 172.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 84.2 mt -91.3 119.47 68.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.557 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 63.0 Cg_endo -94.44 6.23 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.267 2.645 . . . . 0.0 114.125 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -150.9 157.07 27.0 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 119.866 -1.159 . . . . 0.0 113.5 -176.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -93.49 -40.1 10.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -104.72 81.06 1.72 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.446 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -112.3 164.54 13.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.867 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 32.3 mtm180 -129.71 128.38 42.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.328 -178.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 89.8 mt -102.43 115.86 31.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.942 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -99.85 101.06 12.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.14 0.495 . . . . 0.0 110.932 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -86.8 114.26 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.129 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.7 m -85.65 113.54 21.95 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -73.59 108.4 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.391 -173.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.44 -6.69 21.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.882 174.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.1 t -106.89 143.43 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.133 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.5 t -115.08 3.06 14.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.204 0.526 . . . . 0.0 109.978 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -119.83 -173.7 2.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.907 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -65.26 103.43 0.79 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.325 0.583 . . . . 0.0 110.547 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.73 ' HG2' ' HB2' ' A' ' 55' ' ' ASP . 25.0 tm0? -121.66 133.24 54.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.192 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.456 ' O ' ' HD2' ' A' ' 54' ' ' PRO . 86.4 m -108.47 118.57 37.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.5 t -101.38 120.84 51.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.89 172.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -113.11 110.69 20.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.098 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.502 ' HA ' ' CB ' ' A' ' 51' ' ' TYR . 39.5 t -104.95 121.04 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 -173.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 97.4 m-85 -99.12 122.07 41.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.791 0.329 . . . . 0.0 110.776 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 39.7 m-85 -108.8 111.9 23.89 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 48' ' ' PHE . 11.3 pt20 -105.8 130.51 53.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.607 0.718 . . . . 0.0 112.18 -172.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.468 ' OD2' ' HA ' ' A' ' 12' ' ' PRO . 10.8 t70 -80.87 157.96 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 175.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.613 ' HB2' HG23 ' A' ' 45' ' ' THR . 49.3 m -69.37 -25.23 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.27 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -80.13 -20.13 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 0.0 110.819 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.84 -3.37 10.85 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.968 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -73.49 102.2 3.75 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 pp -106.8 134.28 50.19 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.415 -178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -110.07 110.4 21.28 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.815 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -92.23 111.08 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.456 HD13 HG21 ' A' ' 17' ' ' THR . 68.1 mt -99.89 108.95 21.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.8 m -100.7 115.95 31.46 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.603 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -113.92 118.63 34.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.674 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 52.1 m -115.07 119.96 38.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 114' ' ' ASN . 80.7 m-85 -96.13 174.88 6.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -169.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 113' ' ' PHE . 27.0 t-20 84.53 -67.62 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.725 1.21 . . . . 0.0 111.477 177.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -154.83 -65.37 0.13 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.1 t70 65.81 -176.71 0.18 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.84 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.6 t -70.6 -27.0 63.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.6 m 77.35 149.95 0.11 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.716 172.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -121.54 138.2 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.019 173.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -116.68 37.32 3.81 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.262 0.554 . . . . 0.0 109.581 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 63.59 -161.99 0.28 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.423 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -97.47 106.59 18.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.034 0.445 . . . . 0.0 111.183 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.4 mp -89.9 -43.61 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.244 0.545 . . . . 0.0 109.849 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 125' ' ' HIS . 0.0 OUTLIER -115.99 178.8 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.009 -177.774 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 124' ' ' GLU . 64.8 m80 75.02 12.68 3.41 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.203 0.601 . . . . 0.0 112.283 173.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -128.33 -53.69 1.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.65 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -76.67 -61.53 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.037 -175.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -103.65 100.46 10.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.809 0.814 . . . . 0.0 110.355 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -141.16 -9.46 0.99 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.243 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 45.2 t60 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.821 -179.048 . . . . . . . . 0 0 . 1 stop_ save_