data_2jm0_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 2jm0 _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 ' 3' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -71.92 -54.88 8.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 108.961 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.64 -42.75 70.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.357 -0.84 . . . . 0.0 109.206 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -52.61 -58.74 5.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.854 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.64 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.41 -36.41 32.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 0.0 109.991 -179.038 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -28.99 66.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.3 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 0.0 111.284 -178.798 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 ptp -151.51 155.35 38.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -1.155 . . . . 0.0 109.388 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 p -70.89 155.28 41.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.264 -0.897 . . . . 0.0 109.52 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -54.95 -28.44 51.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.236 -0.915 . . . . 0.0 109.561 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.9 p -62.82 -44.6 95.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.113 -0.992 . . . . 0.0 108.893 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.76 60.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.382 -0.824 . . . . 0.0 109.057 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -58.96 -38.6 79.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.164 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -16.57 18.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.315 -0.865 . . . . 0.0 109.223 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.03 -32.39 73.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.153 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CD1' HH21 ' A' ' 24' ' ' ARG . 60.1 mt -68.58 151.77 97.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.171 -0.955 . . . . 0.0 109.974 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -44.26 136.43 8.2 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.393 2.062 . . . . 0.0 112.139 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.04 -46.83 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.545 -0.722 . . . . 0.0 110.891 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.524 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 37.8 p-90 -65.1 -36.29 83.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.016 -1.052 . . . . 0.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.524 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.1 ttp180 -67.38 -47.07 71.41 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.195 -0.941 . . . . 0.0 110.698 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.428 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 37.0 mt-30 -50.02 -44.44 51.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.007 -1.058 . . . . 0.0 109.798 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.02 -35.35 78.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 108.492 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -65.32 -51.7 58.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 109.508 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.72 -30.27 66.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 0.0 110.316 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.5 mtm180 -77.61 -46.47 22.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 110.554 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.36 -41.71 96.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.786 -1.196 . . . . 0.0 108.975 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.13 -18.99 62.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.151 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -90.49 -6.59 54.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.389 -0.819 . . . . 0.0 110.535 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.437 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.8 p30 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.1 tt0 -67.06 -48.74 67.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 108.891 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -75.52 -52.02 11.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 0.0 109.159 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -51.89 -59.27 4.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -50.79 -36.42 36.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.293 -0.879 . . . . 0.0 110.009 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -28.01 65.87 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.279 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.136 -0.978 . . . . 0.0 111.256 -178.887 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -144.33 164.43 30.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -1.163 . . . . 0.0 109.349 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 p -76.43 156.68 32.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -54.9 -27.74 45.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 0.0 109.501 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -56.13 -45.71 79.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 108.891 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.28 35.58 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.819 . . . . 0.0 109.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -56.8 -35.47 68.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 109.187 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -17.79 10.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.4 -36.22 73.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.297 -0.877 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' CD1' HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.41 151.77 90.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.21 -0.931 . . . . 0.0 109.964 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -42.14 142.13 1.73 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.454 2.103 . . . . 0.0 112.064 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.29 -38.32 73.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.731 . . . . 0.0 110.787 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.411 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 44.7 p-90 -78.7 -29.82 45.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 110.522 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.498 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.8 ttp180 -70.88 -46.99 61.62 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.087 -1.008 . . . . 0.0 110.685 -178.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.9 pt20 -48.97 -42.56 38.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.948 -1.095 . . . . 0.0 109.863 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.419 ' CG ' HH21 ' A' ' 29' ' ' ARG . 94.4 mt-30 -64.98 -35.25 80.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.838 -1.164 . . . . 0.0 108.493 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -64.48 -52.88 55.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.49 -0.756 . . . . 0.0 109.467 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.2 mt -69.4 -32.09 70.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.49 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 83.5 mtm180 -76.48 -41.53 46.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.542 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.99 -34.55 76.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.798 -1.189 . . . . 0.0 109.039 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.22 -22.14 64.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.096 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -105.38 -0.37 26.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.803 . . . . 0.0 110.493 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.155 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -69.13 -52.13 31.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 108.981 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -69.14 -40.86 78.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.396 -0.815 . . . . 0.0 109.128 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -52.65 -59.19 4.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.888 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -50.59 -36.02 32.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.938 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.37 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 0.0 110.327 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.146 -0.971 . . . . 0.0 111.288 -178.737 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 ptp -150.35 155.46 39.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.237 -1.155 . . . . 0.0 109.392 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -72.32 156.81 38.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.299 -0.876 . . . . 0.0 109.589 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -54.51 -28.42 45.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -62.25 -46.55 88.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.962 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.563 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . -74.93 -44.72 46.97 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.009 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.458 ' C ' HD21 ' A' ' 19' ' ' ASN . 52.0 t80 -56.53 -33.21 65.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.35 -0.844 . . . . 0.0 109.094 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.49 -5.44 1.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.25 -0.906 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -67.83 -30.88 70.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 110.179 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 HD12 HH21 ' A' ' 24' ' ' ARG . 16.4 mt -66.46 151.51 96.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.184 -0.947 . . . . 0.0 109.949 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -42.38 143.93 1.33 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.473 2.115 . . . . 0.0 112.082 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.32 -38.89 71.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.501 -0.749 . . . . 0.0 110.838 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.6 p-90 -79.79 -30.57 40.62 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.105 -0.997 . . . . 0.0 110.537 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 6.0 ttp180 -70.95 -47.39 59.25 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.111 -0.993 . . . . 0.0 110.672 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -48.4 -39.58 22.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.818 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.96 -36.66 82.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.873 -1.142 . . . . 0.0 108.51 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -62.25 -52.29 64.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.492 -0.755 . . . . 0.0 109.469 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.94 -31.91 71.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.298 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -79.1 -44.25 22.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.986 -1.071 . . . . 0.0 110.519 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.842 -1.162 . . . . 0.0 108.976 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.15 -17.39 63.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.029 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.38 -23.41 32.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 0.0 110.548 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 33.9 p-10 . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 6.5 tp10 -67.85 -50.28 57.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.459 -0.776 . . . . 0.0 108.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -74.59 -47.41 32.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.336 -0.852 . . . . 0.0 109.222 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -52.52 -59.78 4.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 109.817 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.648 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.71 -36.63 37.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 -178.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.77 -27.94 66.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.481 ' CG1' HH11 ' A' ' 32' ' ' ARG . 70.7 t . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.137 -0.977 . . . . 0.0 111.244 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.1 ptp -146.06 163.27 35.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.173 -1.192 . . . . 0.0 109.391 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -76.8 158.33 30.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 109.579 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -54.41 -27.2 35.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.47 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -56.02 -47.1 78.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 108.957 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -45.82 42.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.394 -0.816 . . . . 0.0 108.993 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -57.4 -37.49 72.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.184 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.64 -12.44 1.82 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.241 -0.912 . . . . 0.0 109.27 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.87 -30.03 71.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.345 -0.847 . . . . 0.0 110.217 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 38.9 mt -72.4 152.49 92.03 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.18 -0.95 . . . . 0.0 109.996 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -44.28 134.73 8.91 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.536 2.158 . . . . 0.0 112.139 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.44 -45.89 56.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.586 -0.696 . . . . 0.0 110.842 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.57 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.6 p-90 -69.49 -41.09 76.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.056 -1.028 . . . . 0.0 110.517 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.57 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 4.3 ttp180 -60.94 -41.66 96.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.082 -1.011 . . . . 0.0 110.726 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.502 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 79.5 mt-30 -50.8 -42.36 58.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.983 -1.073 . . . . 0.0 109.868 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.527 ' OE1' ' NH2' ' A' ' 29' ' ' ARG . 15.6 mm100 -63.05 -38.42 91.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.856 -1.152 . . . . 0.0 108.509 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.21 -50.68 72.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.441 -0.787 . . . . 0.0 109.387 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -73.57 -31.71 63.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 110.242 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.527 ' NH2' ' OE1' ' A' ' 26' ' ' GLN . 86.2 mtm180 -79.15 -46.56 17.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.078 -1.014 . . . . 0.0 110.602 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.66 -35.51 80.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.725 -1.235 . . . . 0.0 109.002 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.19 -24.45 63.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 0.0 109.014 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.481 HH11 ' CG1' ' A' ' 9' ' ' VAL . 95.5 mtt180 -107.44 8.18 29.37 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 110.521 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 C-N-CA 119.656 -1.259 . . . . 0.0 109.963 179.407 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.32 -53.46 29.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.324 -0.86 . . . . 0.0 108.948 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.59 -47.7 30.9 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.309 -0.87 . . . . 0.0 109.226 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 31.4 t80 -52.05 -59.75 3.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.312 -0.867 . . . . 0.0 109.813 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.648 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.74 -36.38 36.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 110.018 -178.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.08 68.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.254 -0.904 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.046 -1.034 . . . . 0.0 111.272 -178.864 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.8 ptp -145.24 162.35 37.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.18 -1.188 . . . . 0.0 109.476 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.467 ' H ' ' HG1' ' A' ' 13' ' ' THR . 7.3 p -75.16 154.99 37.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.637 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -54.75 -28.06 45.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.226 -0.921 . . . . 0.0 109.477 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 m -57.78 -44.18 86.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 108.989 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -45.99 39.98 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 109.125 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -58.65 -36.64 74.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.862 . . . . 0.0 109.174 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -17.46 13.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.298 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.472 HD21 ' N ' ' A' ' 19' ' ' ASN . 2.3 m120 -60.82 -33.55 73.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 110.191 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.558 ' CD1' HH21 ' A' ' 24' ' ' ARG . 76.3 mt -66.22 151.56 95.51 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.112 -0.993 . . . . 0.0 110.0 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -44.27 140.32 5.77 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.493 2.129 . . . . 0.0 112.098 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.06 -39.16 74.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.567 -0.708 . . . . 0.0 110.821 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 36.2 p-90 -73.93 -29.06 61.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.999 -1.063 . . . . 0.0 110.481 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.558 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.4 ttp180 -73.89 -49.07 26.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.146 -0.971 . . . . 0.0 110.668 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.5 pt20 -48.64 -44.21 37.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.954 -1.091 . . . . 0.0 109.842 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -62.51 -35.62 79.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.938 -1.101 . . . . 0.0 108.551 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -65.5 -51.94 56.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.522 -0.736 . . . . 0.0 109.46 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.71 -32.06 69.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.461 -0.774 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.521 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.9 mtm180 -74.35 -44.72 51.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.03 -1.043 . . . . 0.0 110.61 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -68.92 -32.28 71.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.788 -1.195 . . . . 0.0 109.021 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.22 -24.03 64.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 0.0 108.979 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.523 HH11 ' HG2' ' A' ' 32' ' ' ARG . 67.8 mtt-85 -106.1 4.69 29.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.408 -0.808 . . . . 0.0 110.523 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.448 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.168 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.56 -52.67 35.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 0.0 108.955 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.17 -43.64 81.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.408 -0.808 . . . . 0.0 109.25 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -53.89 -59.95 3.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 0.0 109.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.642 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -49.53 -34.54 17.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 0.0 110.014 -178.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.59 -27.45 65.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.198 -0.939 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.236 -178.406 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.0 ttp -149.78 161.7 41.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.175 -1.191 . . . . 0.0 109.38 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -78.79 151.49 31.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 0.0 109.606 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -60.2 -28.71 68.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.46 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p -58.62 -51.64 69.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -0.952 . . . . 0.0 108.912 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.73 -31.35 64.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -56.59 -33.69 66.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 109.186 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.99 -14.59 55.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.277 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.8 -34.23 77.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.393 -0.817 . . . . 0.0 110.191 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.5 mt -66.82 151.76 96.41 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.163 -0.961 . . . . 0.0 109.992 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -43.04 135.07 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.505 2.137 . . . . 0.0 112.088 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -51.29 -44.41 61.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.502 -0.749 . . . . 0.0 110.845 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.4 p-90 -69.46 -39.5 77.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.061 -1.025 . . . . 0.0 110.511 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.541 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.4 ttp180 -62.93 -43.78 97.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.072 -1.017 . . . . 0.0 110.767 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -50.7 -42.1 56.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.926 -1.109 . . . . 0.0 109.796 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ARG . 96.1 mt-30 -66.14 -36.96 84.51 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.83 -1.169 . . . . 0.0 108.499 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.79 -52.22 66.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.511 -0.743 . . . . 0.0 109.474 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.77 -32.57 71.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 0.0 110.275 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -83.42 -45.76 13.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.065 -1.022 . . . . 0.0 110.643 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' GLN . 40.0 ttm180 -60.35 -43.99 95.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.846 -1.159 . . . . 0.0 109.004 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.23 -14.77 57.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 0.0 109.096 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.657 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.08 -12.0 36.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 110.521 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -69.44 -55.29 10.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 108.906 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.87 -43.13 75.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.288 -0.883 . . . . 0.0 109.207 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.631 ' CD2' ' NH1' ' A' ' 14' ' ' ARG . 51.8 t80 -51.38 -59.1 4.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.85 . . . . 0.0 109.835 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -50.0 -36.25 27.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.865 . . . . 0.0 109.984 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.3 66.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 0.0 110.262 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.111 -0.993 . . . . 0.0 111.25 -178.711 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.9 ptp -151.04 155.7 39.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -1.132 . . . . 0.0 109.453 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 p -73.42 157.8 36.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 109.568 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.631 ' NH1' ' CD2' ' A' ' 6' ' ' PHE . 82.4 mtt-85 -54.62 -28.4 46.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.19 -0.944 . . . . 0.0 109.475 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 m -62.33 -47.16 85.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -0.998 . . . . 0.0 108.968 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.1 57.51 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.023 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -59.07 -38.48 79.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.867 . . . . 0.0 109.189 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.62 -15.46 11.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.315 -0.865 . . . . 0.0 109.222 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.06 -33.74 74.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD1' HH21 ' A' ' 24' ' ' ARG . 61.9 mt -65.78 152.34 93.24 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 109.973 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -43.12 134.33 5.95 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.458 2.106 . . . . 0.0 112.128 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.42 -45.11 55.54 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.606 -0.683 . . . . 0.0 110.799 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.554 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.8 p-90 -69.55 -40.24 76.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.018 -1.052 . . . . 0.0 110.484 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.554 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.6 ttp180 -61.69 -43.27 99.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.2 -0.937 . . . . 0.0 110.66 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 77.6 mt-30 -50.83 -42.2 58.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 109.928 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.47 -36.61 84.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.909 -1.119 . . . . 0.0 108.543 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -62.97 -51.55 66.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.473 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.6 mt -71.3 -29.83 65.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.292 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -79.3 -46.87 16.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.997 -1.064 . . . . 0.0 110.516 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -63.22 -40.99 99.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.787 -1.196 . . . . 0.0 108.981 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -62.66 -18.66 62.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.057 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -95.84 -6.99 38.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.508 -0.745 . . . . 0.0 110.628 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -67.05 -49.32 65.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.933 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.71 -42.52 86.22 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.34 -0.85 . . . . 0.0 109.21 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -56.48 -59.66 4.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.794 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.06 -35.29 24.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.996 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.41 65.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.912 . . . . 0.0 110.305 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.036 -1.04 . . . . 0.0 111.216 -178.706 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 ptp -151.08 156.93 42.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -1.151 . . . . 0.0 109.452 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 p -70.92 154.87 41.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.577 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -54.77 -28.39 48.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -0.894 . . . . 0.0 109.447 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.5 p -62.98 -46.89 85.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.0 108.919 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.78 -42.73 60.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.006 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.02 -38.94 80.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.182 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -16.5 10.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.275 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -62.67 -33.31 74.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.874 . . . . 0.0 110.198 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' CD1' HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.38 152.62 88.43 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.174 -0.954 . . . . 0.0 110.02 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.66 135.21 9.78 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.443 2.096 . . . . 0.0 112.127 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.66 -47.43 67.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.61 -0.681 . . . . 0.0 110.832 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 39.5 p-90 -64.37 -36.39 83.99 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.03 -1.044 . . . . 0.0 110.495 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.521 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.2 ttp180 -67.91 -46.37 71.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.084 -1.01 . . . . 0.0 110.683 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 78.3 mt-30 -49.88 -45.77 50.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.997 -1.065 . . . . 0.0 109.817 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.76 -37.72 85.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.856 -1.152 . . . . 0.0 108.501 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -50.73 70.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.441 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.4 mt -73.4 -31.66 64.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.298 -0.876 . . . . 0.0 110.31 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -80.1 -48.02 13.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.953 -1.092 . . . . 0.0 110.621 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.14 -43.9 92.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.789 -1.195 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.71 -19.05 63.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.256 -0.903 . . . . 0.0 109.082 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -88.84 -20.97 23.96 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.461 -0.774 . . . . 0.0 110.492 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.574 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.56 -54.01 10.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 0.0 108.935 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -71.38 -41.84 69.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.85 . . . . 0.0 109.168 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -52.75 -59.06 4.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.389 -0.82 . . . . 0.0 109.858 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -50.35 -36.34 31.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 109.926 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.79 -27.85 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 110.337 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.071 -1.018 . . . . 0.0 111.276 -178.647 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -142.47 166.8 23.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -1.123 . . . . 0.0 109.375 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 p -82.55 155.65 24.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -53.35 -28.64 29.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 109.487 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -65.59 -47.21 76.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 108.958 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.35 -44.43 45.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 0.0 109.007 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -56.95 -38.06 72.43 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.28 22.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.266 -0.896 . . . . 0.0 109.244 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -61.96 -30.68 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.315 -0.865 . . . . 0.0 110.143 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.515 ' CD1' HH21 ' A' ' 24' ' ' ARG . 71.1 mt -66.51 151.85 95.65 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.217 -0.927 . . . . 0.0 109.965 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -42.92 136.73 4.7 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.445 2.097 . . . . 0.0 112.062 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -52.55 -43.03 64.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.556 -0.715 . . . . 0.0 110.837 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.543 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.3 p-90 -71.86 -39.37 69.73 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.122 -0.986 . . . . 0.0 110.472 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.543 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.7 ttp180 -61.91 -43.74 98.21 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.149 -0.969 . . . . 0.0 110.698 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -49.98 -42.37 48.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.028 -1.045 . . . . 0.0 109.868 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.655 HE21 ' NH2' ' A' ' 29' ' ' ARG . 96.8 mm-40 -62.79 -39.02 92.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.926 -1.109 . . . . 0.0 108.437 178.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -60.77 -49.92 75.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.484 -0.76 . . . . 0.0 109.469 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 mt -73.44 -31.61 63.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 110.303 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.655 ' NH2' HE21 ' A' ' 26' ' ' GLN . 83.1 mtm180 -82.5 -46.85 12.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.098 -1.001 . . . . 0.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.05 -43.58 95.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.909 -1.119 . . . . 0.0 109.035 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.72 -14.25 57.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -0.872 . . . . 0.0 109.048 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.97 -11.27 36.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.497 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.44 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -179.846 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -70.38 -51.92 26.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.56 -44.88 69.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.416 -0.803 . . . . 0.0 109.203 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.74 -59.31 5.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 0.0 109.795 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -50.07 -36.02 27.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.75 67.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.941 . . . . 0.0 110.305 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 111.214 -178.461 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.9 ttm -143.33 158.81 43.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -1.172 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -77.54 150.9 34.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' HG3' HH11 ' A' ' 14' ' ' ARG . 45.0 mtm-85 -57.15 -29.98 64.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 109.426 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -68.46 -47.07 68.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 108.966 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.14 63.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.337 -0.852 . . . . 0.0 109.089 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.23 -39.58 79.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.298 -0.876 . . . . 0.0 109.208 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -17.33 25.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.203 -0.936 . . . . 0.0 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -62.55 -35.88 80.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.366 -0.833 . . . . 0.0 110.224 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.499 ' CD1' HH21 ' A' ' 24' ' ' ARG . 82.5 mt -55.78 152.04 20.95 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.153 -0.967 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -42.75 142.32 2.12 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.475 2.116 . . . . 0.0 112.101 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 tp -57.3 -37.46 72.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.496 -0.753 . . . . 0.0 110.813 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.456 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.5 p-90 -79.09 -32.87 44.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.039 -1.038 . . . . 0.0 110.517 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.499 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.7 ttp180 -68.7 -49.55 58.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 110.7 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.573 HE21 ' NH2' ' A' ' 29' ' ' ARG . 15.4 pt20 -48.37 -40.54 25.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.98 -1.075 . . . . 0.0 109.817 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -65.99 -35.44 80.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 108.507 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.4 -52.65 57.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.486 -0.759 . . . . 0.0 109.468 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.7 mt -69.04 -32.09 71.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 110.299 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.573 ' NH2' HE21 ' A' ' 25' ' ' GLN . 82.4 mtm180 -75.39 -45.59 38.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.002 . . . . 0.0 110.618 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -68.73 -33.9 74.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.785 -1.197 . . . . 0.0 109.0 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -52.6 -26.75 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.195 -0.941 . . . . 0.0 109.051 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.669 HH11 ' HG2' ' A' ' 32' ' ' ARG . 13.6 mtt-85 -107.8 -2.25 20.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.501 -0.749 . . . . 0.0 110.525 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.519 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.752 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.0 t0 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -77.96 -57.16 3.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 0.0 108.955 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.65 -39.05 93.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.379 -0.826 . . . . 0.0 109.229 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -56.94 -59.46 5.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.849 . . . . 0.0 109.838 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -49.81 -34.81 20.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.977 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -28.68 64.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.215 -0.928 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.102 -0.999 . . . . 0.0 111.19 -178.51 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.1 ptm -163.51 155.39 17.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -1.157 . . . . 0.0 109.445 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -70.9 153.58 42.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 109.585 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' HG3' HH11 ' A' ' 14' ' ' ARG . 49.5 mtm-85 -55.23 -28.84 56.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 109.447 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.61 ' HG ' ' N ' ' A' ' 16' ' ' ALA . 86.4 p -63.15 -44.36 95.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.222 -0.923 . . . . 0.0 108.878 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.61 ' N ' ' HG ' ' A' ' 15' ' ' SER . . . -74.39 -39.29 62.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.404 -0.81 . . . . 0.0 109.068 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.51 -35.35 75.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 109.154 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -15.54 25.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.262 -0.899 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.38 -32.63 72.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 110.217 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' CD1' HH21 ' A' ' 24' ' ' ARG . 78.2 mt -67.72 152.44 96.31 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.92 . . . . 0.0 109.932 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -43.59 133.22 7.42 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.473 2.115 . . . . 0.0 112.16 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 tt -48.17 -53.24 17.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.515 -0.74 . . . . 0.0 110.834 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.3 p-90 -61.74 -41.73 98.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.497 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.2 ttp180 -60.93 -44.21 97.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.191 -0.943 . . . . 0.0 110.662 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.533 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 77.2 mt-30 -50.7 -42.33 56.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.891 -1.131 . . . . 0.0 109.816 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.627 ' NE2' ' NH2' ' A' ' 29' ' ' ARG . 91.3 mm-40 -65.66 -36.23 83.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.845 -1.159 . . . . 0.0 108.492 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -62.28 -52.53 63.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.564 -0.71 . . . . 0.0 109.453 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -70.35 -31.4 68.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.627 ' NH2' ' NE2' ' A' ' 26' ' ' GLN . 85.7 mtm180 -79.45 -41.29 27.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.048 -1.033 . . . . 0.0 110.519 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -62.83 -45.04 94.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.778 -1.201 . . . . 0.0 109.01 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.1 -17.34 62.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.074 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -86.11 -23.0 26.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.431 -0.793 . . . . 0.0 110.503 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.469 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.795 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -71.8 -53.01 14.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 108.94 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -69.54 -42.75 74.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.409 -0.807 . . . . 0.0 109.25 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.98 -58.8 5.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.354 -0.841 . . . . 0.0 109.839 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.656 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.24 -36.72 32.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 -178.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.1 67.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 110.325 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.099 -1.0 . . . . 0.0 111.24 -178.809 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ptm -158.23 153.82 26.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.233 -1.157 . . . . 0.0 109.431 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.96 155.47 40.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 0.0 109.616 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -54.33 -28.63 43.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.529 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m -61.26 -45.35 94.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 108.901 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' OD1' ' A' ' 19' ' ' ASN . . . -73.99 -44.06 55.96 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.982 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.478 ' C ' ' H ' ' A' ' 19' ' ' ASN . 43.8 t80 -56.9 -33.22 66.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.192 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.13 -1.75 1.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.478 ' H ' ' C ' ' A' ' 17' ' ' PHE . 26.3 p-10 -73.35 -24.59 60.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.379 -0.826 . . . . 0.0 110.218 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD11 HH21 ' A' ' 24' ' ' ARG . 11.1 mt -76.73 153.73 83.29 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.17 -0.957 . . . . 0.0 109.966 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.41 137.19 8.23 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.463 2.109 . . . . 0.0 112.109 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.8 tp -51.98 -44.41 64.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.532 -0.73 . . . . 0.0 110.845 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.535 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.5 p-90 -71.62 -38.76 70.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 110.455 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.535 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 6.4 ttp180 -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.175 -0.953 . . . . 0.0 110.707 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -50.07 -41.46 47.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.033 -1.042 . . . . 0.0 109.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.65 -37.37 87.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.834 -1.166 . . . . 0.0 108.479 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.42 -52.1 64.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.442 -0.786 . . . . 0.0 109.453 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.21 -30.45 67.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.324 -0.86 . . . . 0.0 110.325 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -80.1 -42.88 22.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.045 -1.035 . . . . 0.0 110.525 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.4 -42.27 92.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.759 -1.213 . . . . 0.0 108.963 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.6 -16.0 59.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 109.107 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -97.0 -6.81 34.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.417 -0.802 . . . . 0.0 110.551 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.43 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 34.3 p-10 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.5 tt0 -69.86 -52.4 25.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.001 179.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -72.45 -44.04 62.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.174 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.08 -59.06 5.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.844 . . . . 0.0 109.85 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.04 -34.8 22.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.53 -29.92 66.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.15 -0.969 . . . . 0.0 110.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.402 HG11 HH11 ' A' ' 32' ' ' ARG . 73.1 t . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.157 -0.965 . . . . 0.0 111.277 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 tpp -141.16 160.61 39.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.216 -1.167 . . . . 0.0 109.384 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 p -83.81 154.86 23.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.599 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -53.41 -28.82 31.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.425 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 t -66.55 -46.73 75.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 108.982 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.5 -43.99 46.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.377 -0.827 . . . . 0.0 109.012 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -56.85 -34.69 68.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.9 . . . . 0.0 109.19 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -14.2 39.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.341 -0.85 . . . . 0.0 109.263 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -61.93 -33.27 73.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.366 -0.834 . . . . 0.0 110.173 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.577 ' CD1' HH21 ' A' ' 24' ' ' ARG . 81.4 mt -65.63 152.49 92.6 Favored Pre-proline 0 N--CA 1.496 1.865 0 O-C-N 121.174 -0.954 . . . . 0.0 110.024 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -43.06 135.0 5.68 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.429 2.086 . . . . 0.0 112.175 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -50.52 -44.73 56.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.585 -0.697 . . . . 0.0 110.819 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 53.4 p-90 -69.88 -40.58 75.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.577 HH21 ' CD1' ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.111 -0.993 . . . . 0.0 110.645 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 78.6 mt-30 -50.62 -41.85 55.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.097 -1.002 . . . . 0.0 109.822 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -66.42 -36.33 82.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.121 . . . . 0.0 108.479 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.77 -52.24 65.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.501 -0.749 . . . . 0.0 109.433 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -69.14 -31.26 69.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 110.286 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 86.8 mtm180 -75.82 -38.49 58.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.589 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -70.17 -36.71 74.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.764 -1.21 . . . . 0.0 109.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -56.22 -23.38 35.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 109.082 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.402 HH11 HG11 ' A' ' 9' ' ' VAL . 97.2 mtt180 -111.01 -3.63 15.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.477 -0.764 . . . . 0.0 110.5 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.442 0 C-N-CA 119.672 -1.252 . . . . 0.0 109.983 179.114 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -67.93 -52.72 32.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 108.888 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -66.77 -42.17 86.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.84 . . . . 0.0 109.186 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.2 -60.07 3.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 0.0 109.833 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -49.32 -34.32 15.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.945 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -27.63 65.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.044 -1.035 . . . . 0.0 111.194 -178.359 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.7 ttp -153.95 159.1 41.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -1.162 . . . . 0.0 109.364 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -76.1 152.19 36.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.887 . . . . 0.0 109.608 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -60.32 -28.35 68.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 109.484 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.564 ' HG ' ' H ' ' A' ' 16' ' ' ALA . 85.0 p -58.38 -50.59 73.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.974 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.564 ' H ' ' HG ' ' A' ' 15' ' ' SER . . . -74.12 -30.01 62.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.386 -0.821 . . . . 0.0 109.043 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -57.65 -36.52 71.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.228 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.35 -14.75 29.72 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.301 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.542 HD21 ' N ' ' A' ' 19' ' ' ASN . 2.0 m120 -63.88 -33.14 75.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.236 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.4 HD12 HH21 ' A' ' 24' ' ' ARG . 48.6 mt -68.28 152.05 96.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.138 -0.976 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -43.58 133.7 7.28 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.48 2.12 . . . . 0.0 112.095 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tt -48.1 -54.28 13.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.563 -0.711 . . . . 0.0 110.795 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 54.0 p-90 -60.91 -42.16 97.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.017 -1.052 . . . . 0.0 110.498 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.565 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.2 ttp180 -60.86 -43.43 98.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.085 -1.01 . . . . 0.0 110.668 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.52 -42.2 54.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.956 -1.09 . . . . 0.0 109.804 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ARG . 93.0 mt-30 -66.95 -37.14 83.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.907 -1.121 . . . . 0.0 108.509 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.05 -52.02 67.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.499 -0.751 . . . . 0.0 109.434 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -31.86 68.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.313 -0.867 . . . . 0.0 110.28 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -83.39 -48.06 10.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.056 -1.028 . . . . 0.0 110.564 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HG3' HH11 ' A' ' 30' ' ' ARG . 50.9 ttm-85 -59.29 -44.1 92.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.826 -1.171 . . . . 0.0 108.997 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 31' ' ' GLU . 13.4 tm-20 -60.04 -22.17 62.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.046 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -80.68 -21.76 41.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.399 -0.813 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -76.76 -56.77 4.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.31 -0.869 . . . . 0.0 108.956 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -64.51 -39.2 93.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -57.65 -60.11 4.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.321 -0.862 . . . . 0.0 109.884 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.657 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.37 -36.17 31.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 110.037 -178.81 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.82 70.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.036 -1.04 . . . . 0.0 111.225 -178.734 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -148.4 158.66 44.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.214 -1.168 . . . . 0.0 109.418 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -73.38 154.54 40.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.608 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -54.43 -28.5 44.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.511 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.7 m -60.79 -44.84 96.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 108.909 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.31 58.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -58.57 -37.12 75.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.865 . . . . 0.0 109.14 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.43 8.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.315 -0.866 . . . . 0.0 109.333 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.39 -31.5 70.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -0.8 . . . . 0.0 110.207 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' CD1' HH21 ' A' ' 24' ' ' ARG . 79.7 mt -69.94 152.03 96.04 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.219 -0.926 . . . . 0.0 109.977 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -43.29 136.18 5.77 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.457 2.105 . . . . 0.0 112.139 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -52.56 -43.75 65.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.497 -0.752 . . . . 0.0 110.815 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.552 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.1 p-90 -71.48 -39.8 70.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.046 -1.034 . . . . 0.0 110.472 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.552 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.7 ttp180 -61.38 -43.04 99.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.123 -0.986 . . . . 0.0 110.683 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.512 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 39.4 mt-30 -50.83 -41.94 58.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.005 -1.06 . . . . 0.0 109.846 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.88 -38.7 91.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 108.563 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.44 -52.15 65.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.432 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.37 -32.14 68.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 110.287 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.512 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.6 mtm180 -78.35 -42.45 30.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 110.592 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.61 -39.17 91.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 108.957 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.52 -20.54 56.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.9 . . . . 0.0 108.998 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.585 HH11 ' HG2' ' A' ' 32' ' ' ARG . 40.2 mtt-85 -111.72 8.83 20.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 179.195 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.528 ' CG ' HH12 ' A' ' 14' ' ' ARG . 7.0 m-20 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -77.94 -56.92 4.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 108.949 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.5 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.421 -0.799 . . . . 0.0 109.235 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -56.74 -59.2 5.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.868 . . . . 0.0 109.777 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -50.29 -33.19 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.32 -29.46 63.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.2 t . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.114 -0.992 . . . . 0.0 111.189 -178.666 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.6 ptp -154.79 154.36 32.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -1.125 . . . . 0.0 109.498 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.42 154.51 41.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.328 -0.857 . . . . 0.0 109.581 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.528 HH12 ' CG ' ' A' ' 3' ' ' ASP . 47.8 mtm-85 -54.69 -28.54 48.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.885 . . . . 0.0 109.5 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 m -62.28 -47.37 84.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 0.0 108.939 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.81 66.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.339 -0.851 . . . . 0.0 109.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -59.27 -38.84 81.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 109.14 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 -16.63 20.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.238 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.84 -35.23 79.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 110.169 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' A' ' 25' ' ' GLN . 48.5 mt -62.45 152.95 78.73 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.158 -0.964 . . . . 0.0 110.002 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -43.85 135.7 7.44 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.477 2.118 . . . . 0.0 112.109 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.92 -47.85 67.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.861 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.522 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 43.1 p-90 -63.82 -36.91 85.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.096 -1.003 . . . . 0.0 110.556 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.522 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.1 ttp180 -67.58 -45.98 73.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.138 -0.976 . . . . 0.0 110.677 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.439 ' OE1' ' O ' ' A' ' 20' ' ' LEU . 25.7 mt-30 -51.54 -45.66 63.07 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.063 -1.023 . . . . 0.0 109.811 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.23 -33.43 75.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.898 -1.126 . . . . 0.0 108.512 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.91 -52.22 57.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.501 -0.75 . . . . 0.0 109.431 179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.58 -31.37 68.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.1 mtm180 -75.71 -42.46 50.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 110.641 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -63.2 -44.73 94.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.853 -1.155 . . . . 0.0 109.006 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.24 -15.64 60.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.902 . . . . 0.0 109.011 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.666 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -89.75 -22.69 22.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.578 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.836 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 29.4 p-10 . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 36.2 tp10 -79.39 -56.01 4.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.332 -0.855 . . . . 0.0 108.948 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.55 -39.14 93.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -59.38 -59.42 5.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.355 -0.841 . . . . 0.0 109.874 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.657 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -50.8 -36.65 38.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.972 -178.73 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.72 68.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.964 . . . . 0.0 111.284 -178.801 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 ptp -151.56 157.61 42.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.154 -1.203 . . . . 0.0 109.449 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -74.09 156.23 37.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.564 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -54.67 -28.51 47.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.923 . . . . 0.0 109.47 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -61.6 -48.97 78.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.183 -0.948 . . . . 0.0 108.912 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -42.64 67.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.355 -0.84 . . . . 0.0 108.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -58.53 -37.69 76.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.17 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -16.66 12.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.299 -0.876 . . . . 0.0 109.283 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.33 -36.02 74.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD1' HH21 ' A' ' 24' ' ' ARG . 61.7 mt -61.61 151.78 77.0 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.181 -0.949 . . . . 0.0 109.981 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -42.0 144.3 1.03 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.481 2.121 . . . . 0.0 112.136 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.58 -38.15 77.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.577 -0.702 . . . . 0.0 110.8 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.435 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 45.9 p-90 -79.53 -31.46 42.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.065 -1.022 . . . . 0.0 110.548 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.458 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.9 ttp180 -70.43 -48.34 56.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.083 -1.011 . . . . 0.0 110.643 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.518 HE21 ' NH2' ' A' ' 29' ' ' ARG . 15.3 pt20 -48.3 -39.91 23.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 0.0 109.816 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.0 -38.06 85.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.862 -1.149 . . . . 0.0 108.548 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -51.43 68.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.457 -0.777 . . . . 0.0 109.483 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.39 -31.2 69.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.297 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.518 ' NH2' HE21 ' A' ' 25' ' ' GLN . 81.3 mtm180 -75.25 -46.37 34.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.041 -1.037 . . . . 0.0 110.576 -178.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -65.97 -33.62 76.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.799 -1.188 . . . . 0.0 108.98 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.3 -24.88 60.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.288 -0.883 . . . . 0.0 109.038 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -109.06 -10.3 15.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.473 -0.767 . . . . 0.0 110.532 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.515 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -66.52 -50.36 63.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.408 -0.808 . . . . 0.0 108.95 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -75.24 -49.7 18.49 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -53.29 -58.95 5.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -50.56 -36.24 33.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.261 -0.899 . . . . 0.0 109.983 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.06 65.96 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.752 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.3 ptm -157.87 157.45 33.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.156 -1.203 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.6 p -72.8 154.02 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 109.561 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -54.15 -28.17 38.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.544 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 t -60.74 -46.57 89.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 108.964 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -43.0 63.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.389 -0.819 . . . . 0.0 109.034 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.45 -35.76 74.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.251 -0.906 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -17.22 23.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.229 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -59.3 -34.93 72.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.384 -0.823 . . . . 0.0 110.139 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.548 ' CD1' HH21 ' A' ' 24' ' ' ARG . 76.2 mt -63.82 151.67 88.52 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.118 -0.989 . . . . 0.0 109.923 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -42.22 141.41 2.03 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.458 2.105 . . . . 0.0 112.123 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.55 -37.66 70.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.568 -0.707 . . . . 0.0 110.84 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 47.7 p-90 -78.64 -30.96 46.68 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 110.482 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.548 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.7 ttp180 -69.8 -46.57 65.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.018 -1.051 . . . . 0.0 110.729 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.468 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.8 pt20 -48.82 -40.8 30.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.015 -1.053 . . . . 0.0 109.798 -179.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.4 -37.16 84.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.836 -1.165 . . . . 0.0 108.503 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.449 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 18.7 t-20 -62.27 -51.26 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.441 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -71.09 -31.18 67.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.37 -0.831 . . . . 0.0 110.29 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.1 mtm180 -79.45 -44.24 21.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.054 -1.029 . . . . 0.0 110.579 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -61.03 -42.01 97.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.023 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 2.3 mp0 -64.92 -14.38 59.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 109.056 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.565 ' CA ' ' HE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.3 -16.06 28.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 110.527 -178.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.481 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.9 p30 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.2 tt0 -69.5 -54.41 14.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.92 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -72.36 -44.15 62.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.402 -0.811 . . . . 0.0 109.191 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CE2' ' NE ' ' A' ' 14' ' ' ARG . 55.4 t80 -52.12 -60.56 3.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.792 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -49.53 -34.46 17.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.08 66.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 110.311 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.021 . . . . 0.0 111.245 -178.74 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.526 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -144.01 169.9 16.96 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 179.681 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 p -83.34 159.45 21.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.869 . . . . 0.0 109.585 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.729 HH12 HH11 ' A' ' 29' ' ' ARG . 24.6 mmt180 -53.81 -26.8 25.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.283 -0.886 . . . . 0.0 109.5 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -55.82 -48.15 75.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.123 -0.985 . . . . 0.0 108.947 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -49.27 18.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.0 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -56.65 -36.08 69.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.31 -0.868 . . . . 0.0 109.186 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -16.93 18.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.246 -0.909 . . . . 0.0 109.339 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -60.1 -33.94 72.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.569 ' CD1' HH21 ' A' ' 24' ' ' ARG . 80.1 mt -65.48 152.15 92.92 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.217 -0.927 . . . . 0.0 109.967 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -42.85 144.03 1.56 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.521 2.147 . . . . 0.0 112.084 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.27 -37.09 76.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.519 -0.738 . . . . 0.0 110.771 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 49.6 p-90 -78.84 -32.14 46.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.02 -1.05 . . . . 0.0 110.535 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.569 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.7 ttp180 -67.57 -45.88 74.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.12 -0.988 . . . . 0.0 110.696 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.527 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.2 pt20 -48.89 -42.79 37.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.962 -1.086 . . . . 0.0 109.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' CG ' HH21 ' A' ' 29' ' ' ARG . 81.5 mt-30 -63.61 -36.07 82.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.826 -1.171 . . . . 0.0 108.486 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.87 -52.2 61.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.536 -0.728 . . . . 0.0 109.425 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.11 -32.02 68.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.32 -0.863 . . . . 0.0 110.226 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.729 HH11 HH12 ' A' ' 14' ' ' ARG . 84.2 mtm180 -76.36 -41.94 46.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.04 -1.038 . . . . 0.0 110.559 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -66.91 -35.33 79.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.771 -1.206 . . . . 0.0 109.003 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.16 -25.6 47.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 109.109 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.654 ' CG ' HH11 ' A' ' 32' ' ' ARG . 4.8 mtt-85 -105.71 2.24 27.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.426 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.297 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 27.7 p-10 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 35.8 tp10 -70.24 -50.59 38.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.284 -0.885 . . . . 0.0 108.948 179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.14 -47.29 36.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 109.231 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -51.12 -58.36 6.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.271 -0.893 . . . . 0.0 109.791 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.08 -38.25 50.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.226 -0.922 . . . . 0.0 109.937 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.63 66.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.316 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.08 -1.013 . . . . 0.0 111.201 -178.603 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 tpp -143.58 157.71 44.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.238 -1.154 . . . . 0.0 109.442 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.3 p -77.68 152.43 33.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.599 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -53.49 -29.07 34.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 109.452 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -67.12 -45.62 76.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 -35.45 63.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.388 -0.82 . . . . 0.0 109.054 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -59.07 -34.77 72.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 109.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -9.24 5.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 0.0 109.23 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.74 -32.73 74.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.806 . . . . 0.0 110.228 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 HD13 HH21 ' A' ' 24' ' ' ARG . 6.4 mt -71.21 153.77 94.13 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.128 -0.982 . . . . 0.0 109.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -44.21 132.96 9.05 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.481 2.121 . . . . 0.0 112.135 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -50.56 -44.74 56.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.513 -0.742 . . . . 0.0 110.821 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.566 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.0 p-90 -70.38 -41.02 73.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.099 -1.001 . . . . 0.0 110.471 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.566 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 28.9 ttp180 -62.58 -41.59 99.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.125 -0.984 . . . . 0.0 110.662 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -49.16 -40.83 34.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.002 -1.061 . . . . 0.0 109.766 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.6 -38.22 90.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.865 -1.147 . . . . 0.0 108.505 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -60.54 -49.38 77.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.74 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -72.49 -31.74 65.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 0.0 110.302 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -82.56 -50.13 9.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.033 . . . . 0.0 110.579 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 30' ' ' ARG . 51.5 ttm-85 -59.68 -43.63 93.94 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.775 -1.203 . . . . 0.0 109.017 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.81 -20.85 62.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.317 -0.865 . . . . 0.0 109.092 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -81.56 -21.1 38.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.456 -0.777 . . . . 0.0 110.512 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.901 -1.279 . . . . 0.0 109.901 -179.861 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.776 ' CA ' ' H1 ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.744 0 CA-C-O 121.257 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.492 ' H ' ' CG ' ' A' ' 1' ' ' LEU . 2.2 t -83.6 68.05 9.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.324 -0.86 . . . . 0.0 109.531 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -56.08 -31.16 62.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.227 -0.92 . . . . 0.0 108.941 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -71.92 -54.88 8.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 108.961 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.64 -42.75 70.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.357 -0.84 . . . . 0.0 109.206 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 2' ' ' SER . 40.9 t80 -52.61 -58.74 5.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.854 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.64 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.41 -36.41 32.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 0.0 109.991 -179.038 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -28.99 66.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.3 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.83 -49.85 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 0.0 111.284 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 81.98 19.36 65.39 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 ptp -151.51 155.35 38.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -1.155 . . . . 0.0 109.388 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 p -70.89 155.28 41.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.264 -0.897 . . . . 0.0 109.52 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -54.95 -28.44 51.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.236 -0.915 . . . . 0.0 109.561 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.9 p -62.82 -44.6 95.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.113 -0.992 . . . . 0.0 108.893 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.76 60.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.382 -0.824 . . . . 0.0 109.057 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -58.96 -38.6 79.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.164 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -16.57 18.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.315 -0.865 . . . . 0.0 109.223 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.03 -32.39 73.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.153 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CD1' HH21 ' A' ' 24' ' ' ARG . 60.1 mt -68.58 151.77 97.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.171 -0.955 . . . . 0.0 109.974 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -44.26 136.43 8.2 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.393 2.062 . . . . 0.0 112.139 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.04 -46.83 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.545 -0.722 . . . . 0.0 110.891 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.524 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 37.8 p-90 -65.1 -36.29 83.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.016 -1.052 . . . . 0.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.524 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.1 ttp180 -67.38 -47.07 71.41 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.195 -0.941 . . . . 0.0 110.698 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.428 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 37.0 mt-30 -50.02 -44.44 51.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.007 -1.058 . . . . 0.0 109.798 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.02 -35.35 78.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 108.492 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -65.32 -51.7 58.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 109.508 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.72 -30.27 66.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 0.0 110.316 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.5 mtm180 -77.61 -46.47 22.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 110.554 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.36 -41.71 96.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.786 -1.196 . . . . 0.0 108.975 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.13 -18.99 62.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.151 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -90.49 -6.59 54.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.389 -0.819 . . . . 0.0 110.535 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.38 2.64 63.62 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.4 mt -109.97 160.7 16.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.175 -1.191 . . . . 0.0 109.589 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.527 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.781 ' CA ' ' H3 ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.214 -0.786 0 CA-C-O 121.262 0.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.9 m -147.4 69.8 1.16 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.262 -0.899 . . . . 0.0 109.554 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.8 p30 -59.71 -34.01 72.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.283 -0.885 . . . . 0.0 108.861 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.1 tt0 -67.06 -48.74 67.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 108.891 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -75.52 -52.02 11.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 0.0 109.159 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 2' ' ' SER . 32.2 t80 -51.89 -59.27 4.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -50.79 -36.42 36.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.293 -0.879 . . . . 0.0 110.009 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -28.01 65.87 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.279 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.63 -48.08 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.136 -0.978 . . . . 0.0 111.256 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . 0.54 ' C ' ' SD ' ' A' ' 12' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.32 11.88 55.23 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.54 ' SD ' ' C ' ' A' ' 10' ' ' PF5 . 0.0 OUTLIER -144.33 164.43 30.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -1.163 . . . . 0.0 109.349 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 p -76.43 156.68 32.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -54.9 -27.74 45.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 0.0 109.501 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -56.13 -45.71 79.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 108.891 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.28 35.58 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.819 . . . . 0.0 109.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -56.8 -35.47 68.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 109.187 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -17.79 10.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.4 -36.22 73.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.297 -0.877 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' CD1' HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.41 151.77 90.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.21 -0.931 . . . . 0.0 109.964 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -42.14 142.13 1.73 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.454 2.103 . . . . 0.0 112.064 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.29 -38.32 73.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.731 . . . . 0.0 110.787 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.411 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 44.7 p-90 -78.7 -29.82 45.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 110.522 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.498 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.8 ttp180 -70.88 -46.99 61.62 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.087 -1.008 . . . . 0.0 110.685 -178.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.9 pt20 -48.97 -42.56 38.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.948 -1.095 . . . . 0.0 109.863 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' CG ' HH21 ' A' ' 29' ' ' ARG . 94.4 mt-30 -64.98 -35.25 80.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.838 -1.164 . . . . 0.0 108.493 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -64.48 -52.88 55.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.49 -0.756 . . . . 0.0 109.467 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.2 mt -69.4 -32.09 70.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.49 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 83.5 mtm180 -76.48 -41.53 46.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.542 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.99 -34.55 76.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.798 -1.189 . . . . 0.0 109.039 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.22 -22.14 64.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.096 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -105.38 -0.37 26.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.803 . . . . 0.0 110.493 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.6 58.38 4.97 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 65.3 mt -133.02 -24.51 1.89 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.163 -1.198 . . . . 0.0 109.671 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 74.5 m-85 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.191 -0.943 . . . . 0.0 109.556 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.787 ' H1 ' ' CA ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.718 0 CA-C-O 121.214 0.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -61.92 73.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.904 . . . . 0.0 109.545 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 1' ' ' LEU . 82.6 m-20 -61.39 -33.37 73.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.155 -0.965 . . . . 0.0 108.87 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -69.13 -52.13 31.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 108.981 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -69.14 -40.86 78.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.396 -0.815 . . . . 0.0 109.128 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -52.65 -59.19 4.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.888 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -50.59 -36.02 32.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.938 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.37 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 0.0 110.327 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.1 t -73.75 -50.82 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.146 -0.971 . . . . 0.0 111.288 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.94 15.98 71.21 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 ptp -150.35 155.46 39.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.237 -1.155 . . . . 0.0 109.392 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -72.32 156.81 38.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.299 -0.876 . . . . 0.0 109.589 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -54.51 -28.42 45.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -62.25 -46.55 88.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.962 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.563 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . -74.93 -44.72 46.97 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.009 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.458 ' C ' HD21 ' A' ' 19' ' ' ASN . 52.0 t80 -56.53 -33.21 65.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.35 -0.844 . . . . 0.0 109.094 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.49 -5.44 1.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.25 -0.906 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -67.83 -30.88 70.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 110.179 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 HD12 HH21 ' A' ' 24' ' ' ARG . 16.4 mt -66.46 151.51 96.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.184 -0.947 . . . . 0.0 109.949 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -42.38 143.93 1.33 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.473 2.115 . . . . 0.0 112.082 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.32 -38.89 71.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.501 -0.749 . . . . 0.0 110.838 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.6 p-90 -79.79 -30.57 40.62 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.105 -0.997 . . . . 0.0 110.537 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 6.0 ttp180 -70.95 -47.39 59.25 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.111 -0.993 . . . . 0.0 110.672 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -48.4 -39.58 22.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.818 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.96 -36.66 82.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.873 -1.142 . . . . 0.0 108.51 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -62.25 -52.29 64.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.492 -0.755 . . . . 0.0 109.469 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.94 -31.91 71.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.298 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -79.1 -44.25 22.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.986 -1.071 . . . . 0.0 110.519 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.842 -1.162 . . . . 0.0 108.976 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.15 -17.39 63.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.029 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.38 -23.41 32.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 0.0 110.548 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.31 -0.45 68.57 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' O ' ' CG ' ' A' ' 35' ' ' PHE . 19.1 mt -93.9 -75.96 0.49 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.108 -1.231 . . . . 0.0 109.647 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 47.5 p90 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 109.508 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.903 ' H3 ' HH22 ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.215 -0.752 0 CA-C-O 121.293 0.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.662 ' H ' ' NH2' ' A' ' 14' ' ' ARG . 30.7 p -143.81 71.51 1.33 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.255 -0.903 . . . . 0.0 109.577 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 33.9 p-10 -59.55 -32.25 70.16 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.23 -0.919 . . . . 0.0 108.953 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 6.5 tp10 -67.85 -50.28 57.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.459 -0.776 . . . . 0.0 108.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -74.59 -47.41 32.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.336 -0.852 . . . . 0.0 109.222 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -52.52 -59.78 4.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 109.817 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.648 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.71 -36.63 37.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 -178.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.77 -27.94 66.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.481 ' CG1' HH11 ' A' ' 32' ' ' ARG . 70.7 t -70.68 -47.76 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.137 -0.977 . . . . 0.0 111.244 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 89.67 13.08 61.67 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.1 ptp -146.06 163.27 35.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.173 -1.192 . . . . 0.0 109.391 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -76.8 158.33 30.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 109.579 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.903 HH22 ' H3 ' ' A' ' 1' ' ' LEU . 95.5 mtt180 -54.41 -27.2 35.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.47 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -56.02 -47.1 78.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 108.957 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -45.82 42.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.394 -0.816 . . . . 0.0 108.993 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -57.4 -37.49 72.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.184 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.64 -12.44 1.82 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.241 -0.912 . . . . 0.0 109.27 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.87 -30.03 71.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.345 -0.847 . . . . 0.0 110.217 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' O ' ' NE2' ' A' ' 25' ' ' GLN . 38.9 mt -72.4 152.49 92.03 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.18 -0.95 . . . . 0.0 109.996 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -44.28 134.73 8.91 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.536 2.158 . . . . 0.0 112.139 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.44 -45.89 56.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.586 -0.696 . . . . 0.0 110.842 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.57 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.6 p-90 -69.49 -41.09 76.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.056 -1.028 . . . . 0.0 110.517 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.57 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 4.3 ttp180 -60.94 -41.66 96.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.082 -1.011 . . . . 0.0 110.726 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.502 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 79.5 mt-30 -50.8 -42.36 58.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.983 -1.073 . . . . 0.0 109.868 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' OE1' ' NH2' ' A' ' 29' ' ' ARG . 15.6 mm100 -63.05 -38.42 91.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.856 -1.152 . . . . 0.0 108.509 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.21 -50.68 72.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.441 -0.787 . . . . 0.0 109.387 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -73.57 -31.71 63.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 110.242 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.527 ' NH2' ' OE1' ' A' ' 26' ' ' GLN . 86.2 mtm180 -79.15 -46.56 17.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.078 -1.014 . . . . 0.0 110.602 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.66 -35.51 80.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.725 -1.235 . . . . 0.0 109.002 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.19 -24.45 63.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 0.0 109.014 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.481 HH11 ' CG1' ' A' ' 9' ' ' VAL . 95.5 mtt180 -107.44 8.18 29.37 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 110.521 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.39 26.41 57.24 Favored Glycine 0 N--CA 1.493 2.477 0 C-N-CA 119.656 -1.259 . . . . 0.0 109.963 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.3 mt -123.56 155.72 37.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.133 -1.216 . . . . 0.0 109.692 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.489 1.476 0 O-C-N 121.192 -0.943 . . . . 0.0 109.471 -179.535 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.784 ' H3 ' ' CA ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.214 -0.769 0 CA-C-O 121.326 0.584 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.2 m -81.5 66.86 7.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.197 -0.939 . . . . 0.0 109.487 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -56.3 -32.49 64.65 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.281 -0.887 . . . . 0.0 108.964 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.32 -53.46 29.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.324 -0.86 . . . . 0.0 108.948 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.59 -47.7 30.9 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.309 -0.87 . . . . 0.0 109.226 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 2' ' ' SER . 31.4 t80 -52.05 -59.75 3.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.312 -0.867 . . . . 0.0 109.813 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.648 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.74 -36.38 36.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 110.018 -178.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.08 68.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.254 -0.904 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.4 t -70.58 -46.26 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.046 -1.034 . . . . 0.0 111.272 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 89.13 15.7 58.68 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.8 ptp -145.24 162.35 37.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.18 -1.188 . . . . 0.0 109.476 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.467 ' H ' ' HG1' ' A' ' 13' ' ' THR . 7.3 p -75.16 154.99 37.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.637 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.703 HH11 ' H2 ' ' A' ' 1' ' ' LEU . 59.0 mtp180 -54.75 -28.06 45.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.226 -0.921 . . . . 0.0 109.477 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 m -57.78 -44.18 86.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 108.989 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -45.99 39.98 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 109.125 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -58.65 -36.64 74.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.862 . . . . 0.0 109.174 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -17.46 13.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.298 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 19' ' ' ASN . 2.3 m120 -60.82 -33.55 73.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 110.191 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.558 ' CD1' HH21 ' A' ' 24' ' ' ARG . 76.3 mt -66.22 151.56 95.51 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.112 -0.993 . . . . 0.0 110.0 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -44.27 140.32 5.77 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.493 2.129 . . . . 0.0 112.098 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.06 -39.16 74.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.567 -0.708 . . . . 0.0 110.821 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 36.2 p-90 -73.93 -29.06 61.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.999 -1.063 . . . . 0.0 110.481 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.558 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.4 ttp180 -73.89 -49.07 26.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.146 -0.971 . . . . 0.0 110.668 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.5 pt20 -48.64 -44.21 37.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.954 -1.091 . . . . 0.0 109.842 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -62.51 -35.62 79.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.938 -1.101 . . . . 0.0 108.551 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -65.5 -51.94 56.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.522 -0.736 . . . . 0.0 109.46 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.71 -32.06 69.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.461 -0.774 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.521 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.9 mtm180 -74.35 -44.72 51.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.03 -1.043 . . . . 0.0 110.61 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -68.92 -32.28 71.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.788 -1.195 . . . . 0.0 109.021 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.22 -24.03 64.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 0.0 108.979 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.523 ' HG2' HH11 ' A' ' 32' ' ' ARG . 67.8 mtt-85 -106.1 4.69 29.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.408 -0.808 . . . . 0.0 110.523 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.2 31.37 20.0 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 mt -125.82 140.2 52.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.096 -1.238 . . . . 0.0 109.675 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.42 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 71.0 m-85 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.183 -0.948 . . . . 0.0 109.548 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.788 ' H3 ' ' CA ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.257 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' A' ' 2' ' ' SER . 9.0 p -68.53 56.61 0.08 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.3 -0.875 . . . . 0.0 109.521 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' LEU . 84.5 m-20 -56.14 -33.3 65.06 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.157 -0.964 . . . . 0.0 108.857 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.56 -52.67 35.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 0.0 108.955 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.17 -43.64 81.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.408 -0.808 . . . . 0.0 109.25 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -53.89 -59.95 3.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 0.0 109.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.642 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -49.53 -34.54 17.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 0.0 110.014 -178.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.59 -27.45 65.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.198 -0.939 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.47 -49.72 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.236 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.57 20.37 79.57 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.0 ttp -149.78 161.7 41.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.175 -1.191 . . . . 0.0 109.38 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -78.79 151.49 31.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 0.0 109.606 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.772 ' NH2' ' H2 ' ' A' ' 1' ' ' LEU . 69.6 mtm180 -60.2 -28.71 68.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.46 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p -58.62 -51.64 69.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -0.952 . . . . 0.0 108.912 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.73 -31.35 64.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -56.59 -33.69 66.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 109.186 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.99 -14.59 55.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.277 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.8 -34.23 77.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.393 -0.817 . . . . 0.0 110.191 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.5 mt -66.82 151.76 96.41 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.163 -0.961 . . . . 0.0 109.992 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -43.04 135.07 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.505 2.137 . . . . 0.0 112.088 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -51.29 -44.41 61.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.502 -0.749 . . . . 0.0 110.845 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.4 p-90 -69.46 -39.5 77.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.061 -1.025 . . . . 0.0 110.511 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.541 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.4 ttp180 -62.93 -43.78 97.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.072 -1.017 . . . . 0.0 110.767 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -50.7 -42.1 56.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.926 -1.109 . . . . 0.0 109.796 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ARG . 96.1 mt-30 -66.14 -36.96 84.51 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.83 -1.169 . . . . 0.0 108.499 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.79 -52.22 66.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.511 -0.743 . . . . 0.0 109.474 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.77 -32.57 71.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 0.0 110.275 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -83.42 -45.76 13.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.065 -1.022 . . . . 0.0 110.643 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' GLN . 40.0 ttm180 -60.35 -43.99 95.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.846 -1.159 . . . . 0.0 109.004 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.23 -14.77 57.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 0.0 109.096 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.657 HH11 ' CG ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.08 -12.0 36.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 110.521 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.47 -0.25 70.87 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.1 mt -106.25 162.54 13.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.148 -1.207 . . . . 0.0 109.608 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.232 -0.918 . . . . 0.0 109.562 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.788 ' CA ' ' H1 ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.725 0 CA-C-O 121.287 0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.472 ' O ' ' OG ' ' A' ' 2' ' ' SER . 12.2 p -71.04 63.57 0.32 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.243 -0.911 . . . . 0.0 109.533 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -55.53 -32.91 63.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 108.872 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -69.44 -55.29 10.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 108.906 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.87 -43.13 75.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.288 -0.883 . . . . 0.0 109.207 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.631 ' CD2' ' NH1' ' A' ' 14' ' ' ARG . 51.8 t80 -51.38 -59.1 4.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.85 . . . . 0.0 109.835 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -50.0 -36.25 27.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.865 . . . . 0.0 109.984 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.3 66.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 0.0 110.262 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -72.96 -49.71 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.111 -0.993 . . . . 0.0 111.25 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.81 18.16 75.8 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.9 ptp -151.04 155.7 39.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -1.132 . . . . 0.0 109.453 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 p -73.42 157.8 36.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 109.568 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.631 ' NH1' ' CD2' ' A' ' 6' ' ' PHE . 82.4 mtt-85 -54.62 -28.4 46.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.19 -0.944 . . . . 0.0 109.475 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 m -62.33 -47.16 85.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -0.998 . . . . 0.0 108.968 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.1 57.51 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.023 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -59.07 -38.48 79.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.867 . . . . 0.0 109.189 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.62 -15.46 11.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.315 -0.865 . . . . 0.0 109.222 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.06 -33.74 74.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD1' HH21 ' A' ' 24' ' ' ARG . 61.9 mt -65.78 152.34 93.24 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 109.973 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -43.12 134.33 5.95 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.458 2.106 . . . . 0.0 112.128 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.42 -45.11 55.54 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.606 -0.683 . . . . 0.0 110.799 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.554 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.8 p-90 -69.55 -40.24 76.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.018 -1.052 . . . . 0.0 110.484 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.554 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.6 ttp180 -61.69 -43.27 99.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.2 -0.937 . . . . 0.0 110.66 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 77.6 mt-30 -50.83 -42.2 58.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 109.928 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.47 -36.61 84.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.909 -1.119 . . . . 0.0 108.543 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -62.97 -51.55 66.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.473 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.6 mt -71.3 -29.83 65.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.292 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -79.3 -46.87 16.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.997 -1.064 . . . . 0.0 110.516 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -63.22 -40.99 99.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.787 -1.196 . . . . 0.0 108.981 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -62.66 -18.66 62.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.057 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -95.84 -6.99 38.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.508 -0.745 . . . . 0.0 110.628 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.43 -2.21 80.43 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.1 mt -105.77 135.72 46.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.095 -1.238 . . . . 0.0 109.608 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.516 -179.641 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.812 ' H3 ' ' H ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.216 -0.706 0 CA-C-O 121.262 0.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.812 ' H ' ' H3 ' ' A' ' 1' ' ' LEU . 11.6 p 45.62 58.42 4.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.503 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -55.75 -35.24 65.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.152 -0.967 . . . . 0.0 108.913 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -67.05 -49.32 65.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.933 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.71 -42.52 86.22 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.34 -0.85 . . . . 0.0 109.21 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -56.48 -59.66 4.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.794 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.06 -35.29 24.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.996 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.41 65.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.912 . . . . 0.0 110.305 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.86 -49.2 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.036 -1.04 . . . . 0.0 111.216 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.56 14.92 60.81 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 ptp -151.08 156.93 42.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -1.151 . . . . 0.0 109.452 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 p -70.92 154.87 41.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.577 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -54.77 -28.39 48.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -0.894 . . . . 0.0 109.447 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.5 p -62.98 -46.89 85.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.0 108.919 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.78 -42.73 60.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.006 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.02 -38.94 80.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.182 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -16.5 10.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.275 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -62.67 -33.31 74.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.874 . . . . 0.0 110.198 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' CD1' HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.38 152.62 88.43 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.174 -0.954 . . . . 0.0 110.02 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.66 135.21 9.78 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.443 2.096 . . . . 0.0 112.127 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.66 -47.43 67.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.61 -0.681 . . . . 0.0 110.832 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 39.5 p-90 -64.37 -36.39 83.99 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.03 -1.044 . . . . 0.0 110.495 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.521 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.2 ttp180 -67.91 -46.37 71.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.084 -1.01 . . . . 0.0 110.683 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 78.3 mt-30 -49.88 -45.77 50.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.997 -1.065 . . . . 0.0 109.817 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.76 -37.72 85.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.856 -1.152 . . . . 0.0 108.501 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -50.73 70.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.441 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.4 mt -73.4 -31.66 64.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.298 -0.876 . . . . 0.0 110.31 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -80.1 -48.02 13.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.953 -1.092 . . . . 0.0 110.621 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.14 -43.9 92.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.789 -1.195 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.71 -19.05 63.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.256 -0.903 . . . . 0.0 109.082 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -88.84 -20.97 23.96 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.461 -0.774 . . . . 0.0 110.492 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.27 -2.23 74.43 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.599 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 16.2 mt -98.41 -17.56 18.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.129 -1.218 . . . . 0.0 109.626 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 1.2 p90 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.238 -0.914 . . . . 0.0 109.531 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.783 ' H3 ' ' CA ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.721 0 CA-C-O 121.256 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 6' ' ' PHE . 3.6 t -62.56 74.35 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.212 -0.93 . . . . 0.0 109.523 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 1' ' ' LEU . 3.6 p30 -59.48 -30.99 68.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.215 -0.928 . . . . 0.0 108.917 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.56 -54.01 10.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 0.0 108.935 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -71.38 -41.84 69.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.85 . . . . 0.0 109.168 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 2' ' ' SER . 58.1 t80 -52.75 -59.06 4.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.389 -0.82 . . . . 0.0 109.858 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -50.35 -36.34 31.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 109.926 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.79 -27.85 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 110.337 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -75.04 -50.57 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.071 -1.018 . . . . 0.0 111.276 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . 0.54 ' C ' ' SD ' ' A' ' 12' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.66 8.77 58.11 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.54 ' SD ' ' C ' ' A' ' 10' ' ' PF5 . 0.0 OUTLIER -142.47 166.8 23.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -1.123 . . . . 0.0 109.375 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 p -82.55 155.65 24.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -53.35 -28.64 29.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 109.487 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -65.59 -47.21 76.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 108.958 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.35 -44.43 45.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 0.0 109.007 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -56.95 -38.06 72.43 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.28 22.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.266 -0.896 . . . . 0.0 109.244 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -61.96 -30.68 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.315 -0.865 . . . . 0.0 110.143 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.515 ' CD1' HH21 ' A' ' 24' ' ' ARG . 71.1 mt -66.51 151.85 95.65 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.217 -0.927 . . . . 0.0 109.965 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -42.92 136.73 4.7 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.445 2.097 . . . . 0.0 112.062 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -52.55 -43.03 64.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.556 -0.715 . . . . 0.0 110.837 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.543 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.3 p-90 -71.86 -39.37 69.73 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.122 -0.986 . . . . 0.0 110.472 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.543 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.7 ttp180 -61.91 -43.74 98.21 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.149 -0.969 . . . . 0.0 110.698 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -49.98 -42.37 48.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.028 -1.045 . . . . 0.0 109.868 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.655 HE21 ' NH2' ' A' ' 29' ' ' ARG . 96.8 mm-40 -62.79 -39.02 92.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.926 -1.109 . . . . 0.0 108.437 178.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -60.77 -49.92 75.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.484 -0.76 . . . . 0.0 109.469 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 mt -73.44 -31.61 63.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 110.303 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.655 ' NH2' HE21 ' A' ' 26' ' ' GLN . 83.1 mtm180 -82.5 -46.85 12.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.098 -1.001 . . . . 0.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.05 -43.58 95.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.909 -1.119 . . . . 0.0 109.035 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.72 -14.25 57.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -0.872 . . . . 0.0 109.048 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.97 -11.27 36.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.497 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.32 2.75 70.29 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.8 mt -108.78 161.62 14.94 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.097 -1.237 . . . . 0.0 109.588 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.226 -0.921 . . . . 0.0 109.538 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.786 ' H2 ' ' CA ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.214 -0.781 0 CA-C-O 121.302 0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.463 ' O ' ' OG ' ' A' ' 2' ' ' SER . 17.7 p 46.03 64.43 1.48 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.255 -0.903 . . . . 0.0 109.439 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -55.57 -33.71 64.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.19 -0.944 . . . . 0.0 108.892 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -70.38 -51.92 26.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.56 -44.88 69.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.416 -0.803 . . . . 0.0 109.203 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 2' ' ' SER . 60.0 t80 -56.74 -59.31 5.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 0.0 109.795 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -50.07 -36.02 27.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.75 67.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.941 . . . . 0.0 110.305 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.53 -49.74 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 111.214 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.94 21.14 22.65 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.9 ttm -143.33 158.81 43.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -1.172 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -77.54 150.9 34.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.659 ' NE ' ' H1 ' ' A' ' 1' ' ' LEU . 45.0 mtm-85 -57.15 -29.98 64.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 109.426 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -68.46 -47.07 68.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 108.966 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.14 63.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.337 -0.852 . . . . 0.0 109.089 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.23 -39.58 79.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.298 -0.876 . . . . 0.0 109.208 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -17.33 25.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.203 -0.936 . . . . 0.0 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -62.55 -35.88 80.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.366 -0.833 . . . . 0.0 110.224 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.499 ' CD1' HH21 ' A' ' 24' ' ' ARG . 82.5 mt -55.78 152.04 20.95 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.153 -0.967 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -42.75 142.32 2.12 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.475 2.116 . . . . 0.0 112.101 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 tp -57.3 -37.46 72.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.496 -0.753 . . . . 0.0 110.813 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.456 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.5 p-90 -79.09 -32.87 44.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.039 -1.038 . . . . 0.0 110.517 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.499 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.7 ttp180 -68.7 -49.55 58.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 110.7 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.573 HE21 ' NH2' ' A' ' 29' ' ' ARG . 15.4 pt20 -48.37 -40.54 25.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.98 -1.075 . . . . 0.0 109.817 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -65.99 -35.44 80.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 108.507 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.4 -52.65 57.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.486 -0.759 . . . . 0.0 109.468 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.7 mt -69.04 -32.09 71.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 110.299 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.573 ' NH2' HE21 ' A' ' 25' ' ' GLN . 82.4 mtm180 -75.39 -45.59 38.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.002 . . . . 0.0 110.618 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -68.73 -33.9 74.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.785 -1.197 . . . . 0.0 109.0 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -52.6 -26.75 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.195 -0.941 . . . . 0.0 109.051 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.669 HH11 ' HG2' ' A' ' 32' ' ' ARG . 13.6 mtt-85 -107.8 -2.25 20.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.501 -0.749 . . . . 0.0 110.525 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.9 -4.39 57.68 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.4 mt -98.96 129.53 45.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.136 -1.214 . . . . 0.0 109.604 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.178 -0.951 . . . . 0.0 109.549 -179.546 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.787 ' CA ' ' H2 ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.214 -0.766 0 CA-C-O 121.278 0.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.577 ' O ' ' N ' ' A' ' 6' ' ' PHE . 2.9 p 46.45 34.15 2.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.266 -0.896 . . . . 0.0 109.486 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -55.05 -32.28 61.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 108.908 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -77.96 -57.16 3.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 0.0 108.955 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.65 -39.05 93.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.379 -0.826 . . . . 0.0 109.229 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 2' ' ' SER . 58.2 t80 -56.94 -59.46 5.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.849 . . . . 0.0 109.838 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -49.81 -34.81 20.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.977 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -28.68 64.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.215 -0.928 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t -76.51 -49.48 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.102 -0.999 . . . . 0.0 111.19 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.91 29.76 64.53 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.1 ptm -163.51 155.39 17.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -1.157 . . . . 0.0 109.445 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -70.9 153.58 42.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 109.585 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' HG3' HH11 ' A' ' 14' ' ' ARG . 49.5 mtm-85 -55.23 -28.84 56.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 109.447 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.61 ' HG ' ' N ' ' A' ' 16' ' ' ALA . 86.4 p -63.15 -44.36 95.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.222 -0.923 . . . . 0.0 108.878 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.61 ' N ' ' HG ' ' A' ' 15' ' ' SER . . . -74.39 -39.29 62.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.404 -0.81 . . . . 0.0 109.068 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.51 -35.35 75.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 109.154 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -15.54 25.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.262 -0.899 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.38 -32.63 72.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 110.217 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' CD1' HH21 ' A' ' 24' ' ' ARG . 78.2 mt -67.72 152.44 96.31 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.92 . . . . 0.0 109.932 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -43.59 133.22 7.42 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.473 2.115 . . . . 0.0 112.16 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 tt -48.17 -53.24 17.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.515 -0.74 . . . . 0.0 110.834 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.3 p-90 -61.74 -41.73 98.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.497 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.2 ttp180 -60.93 -44.21 97.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.191 -0.943 . . . . 0.0 110.662 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 77.2 mt-30 -50.7 -42.33 56.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.891 -1.131 . . . . 0.0 109.816 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.627 ' NE2' ' NH2' ' A' ' 29' ' ' ARG . 91.3 mm-40 -65.66 -36.23 83.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.845 -1.159 . . . . 0.0 108.492 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -62.28 -52.53 63.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.564 -0.71 . . . . 0.0 109.453 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -70.35 -31.4 68.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.627 ' NH2' ' NE2' ' A' ' 26' ' ' GLN . 85.7 mtm180 -79.45 -41.29 27.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.048 -1.033 . . . . 0.0 110.519 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -62.83 -45.04 94.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.778 -1.201 . . . . 0.0 109.01 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.1 -17.34 62.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.074 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -86.11 -23.0 26.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.431 -0.793 . . . . 0.0 110.503 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.35 4.99 67.78 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 mt -103.83 162.92 12.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.116 -1.226 . . . . 0.0 109.606 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.196 -0.94 . . . . 0.0 109.49 179.878 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.786 ' CA ' ' H1 ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.681 0 CA-C-O 121.287 0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' LEU . 3.4 t 44.71 68.96 0.48 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.219 -0.926 . . . . 0.0 109.488 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -56.06 -31.68 63.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 0.0 108.851 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -71.8 -53.01 14.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 108.94 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -69.54 -42.75 74.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.409 -0.807 . . . . 0.0 109.25 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' SER . 41.7 t80 -52.98 -58.8 5.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.354 -0.841 . . . . 0.0 109.839 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.656 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.24 -36.72 32.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 -178.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.1 67.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 110.325 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -72.02 -49.93 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.099 -1.0 . . . . 0.0 111.24 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 78.54 25.28 61.18 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ptm -158.23 153.82 26.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.233 -1.157 . . . . 0.0 109.431 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.96 155.47 40.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 0.0 109.616 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.597 HH11 ' H1 ' ' A' ' 1' ' ' LEU . 53.7 mtp180 -54.33 -28.63 43.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.529 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m -61.26 -45.35 94.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 108.901 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' OD1' ' A' ' 19' ' ' ASN . . . -73.99 -44.06 55.96 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.982 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.478 ' C ' ' H ' ' A' ' 19' ' ' ASN . 43.8 t80 -56.9 -33.22 66.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.192 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.13 -1.75 1.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.478 ' H ' ' C ' ' A' ' 17' ' ' PHE . 26.3 p-10 -73.35 -24.59 60.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.379 -0.826 . . . . 0.0 110.218 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD11 HH21 ' A' ' 24' ' ' ARG . 11.1 mt -76.73 153.73 83.29 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.17 -0.957 . . . . 0.0 109.966 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.41 137.19 8.23 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.463 2.109 . . . . 0.0 112.109 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.8 tp -51.98 -44.41 64.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.532 -0.73 . . . . 0.0 110.845 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.535 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.5 p-90 -71.62 -38.76 70.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 110.455 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.535 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 6.4 ttp180 -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.175 -0.953 . . . . 0.0 110.707 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -50.07 -41.46 47.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.033 -1.042 . . . . 0.0 109.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.65 -37.37 87.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.834 -1.166 . . . . 0.0 108.479 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.42 -52.1 64.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.442 -0.786 . . . . 0.0 109.453 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.21 -30.45 67.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.324 -0.86 . . . . 0.0 110.325 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -80.1 -42.88 22.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.045 -1.035 . . . . 0.0 110.525 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.4 -42.27 92.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.759 -1.213 . . . . 0.0 108.963 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.6 -16.0 59.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 109.107 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -97.0 -6.81 34.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.417 -0.802 . . . . 0.0 110.551 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.53 -2.5 77.62 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.6 mt -106.22 136.31 46.15 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.073 -1.251 . . . . 0.0 109.626 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.25 -0.906 . . . . 0.0 109.528 -179.69 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.78 ' H3 ' ' CA ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.223 0.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.3 m -65.54 67.85 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 109.504 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 34.3 p-10 -59.75 -32.39 70.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.207 -0.933 . . . . 0.0 108.861 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.5 tt0 -69.86 -52.4 25.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.001 179.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -72.45 -44.04 62.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.174 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 2' ' ' SER . 58.5 t80 -56.08 -59.06 5.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.844 . . . . 0.0 109.85 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.04 -34.8 22.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.53 -29.92 66.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.15 -0.969 . . . . 0.0 110.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.402 HG11 HH11 ' A' ' 32' ' ' ARG . 73.1 t -75.85 -51.12 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.157 -0.965 . . . . 0.0 111.277 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . 0.461 ' C ' ' N ' ' A' ' 12' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.41 17.43 1.9 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.461 ' N ' ' C ' ' A' ' 10' ' ' PF5 . 2.4 tpp -141.16 160.61 39.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.216 -1.167 . . . . 0.0 109.384 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 p -83.81 154.86 23.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.599 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -53.41 -28.82 31.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.425 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 t -66.55 -46.73 75.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 108.982 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.5 -43.99 46.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.377 -0.827 . . . . 0.0 109.012 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -56.85 -34.69 68.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.9 . . . . 0.0 109.19 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -14.2 39.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.341 -0.85 . . . . 0.0 109.263 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -61.93 -33.27 73.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.366 -0.834 . . . . 0.0 110.173 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.577 ' CD1' HH21 ' A' ' 24' ' ' ARG . 81.4 mt -65.63 152.49 92.6 Favored Pre-proline 0 N--CA 1.496 1.865 0 O-C-N 121.174 -0.954 . . . . 0.0 110.024 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -43.06 135.0 5.68 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.429 2.086 . . . . 0.0 112.175 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -50.52 -44.73 56.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.585 -0.697 . . . . 0.0 110.819 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 53.4 p-90 -69.88 -40.58 75.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.577 HH21 ' CD1' ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.111 -0.993 . . . . 0.0 110.645 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 78.6 mt-30 -50.62 -41.85 55.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.097 -1.002 . . . . 0.0 109.822 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -66.42 -36.33 82.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.121 . . . . 0.0 108.479 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.77 -52.24 65.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.501 -0.749 . . . . 0.0 109.433 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -69.14 -31.26 69.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 110.286 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 86.8 mtm180 -75.82 -38.49 58.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.589 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -70.17 -36.71 74.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.764 -1.21 . . . . 0.0 109.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -56.22 -23.38 35.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 109.082 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' NH1' ' CE2' ' A' ' 10' ' ' PF5 . 97.2 mtt180 -111.01 -3.63 15.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.477 -0.764 . . . . 0.0 110.5 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.87 66.19 2.97 Favored Glycine 0 N--CA 1.493 2.442 0 C-N-CA 119.672 -1.252 . . . . 0.0 109.983 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 30.3 mt -132.39 -3.03 3.43 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.134 -1.215 . . . . 0.0 109.647 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 34' ' ' LEU . 95.5 m-85 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.303 -0.873 . . . . 0.0 109.493 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.779 ' CA ' ' H2 ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.757 0 CA-C-O 121.266 0.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.469 ' O ' ' OG ' ' A' ' 2' ' ' SER . 8.5 p -69.75 55.67 0.13 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.265 -0.897 . . . . 0.0 109.501 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' LEU . 85.6 m-20 -55.04 -32.99 62.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.0 108.926 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -67.93 -52.72 32.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 108.888 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -66.77 -42.17 86.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.84 . . . . 0.0 109.186 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.2 -60.07 3.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 0.0 109.833 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -49.32 -34.32 15.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.945 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -27.63 65.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.0 t -80.19 -48.86 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.044 -1.035 . . . . 0.0 111.194 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.2 23.2 74.69 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.7 ttp -153.95 159.1 41.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -1.162 . . . . 0.0 109.364 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -76.1 152.19 36.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.887 . . . . 0.0 109.608 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.688 ' NH2' ' H3 ' ' A' ' 1' ' ' LEU . 74.0 mtm180 -60.32 -28.35 68.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 109.484 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.564 ' HG ' ' H ' ' A' ' 16' ' ' ALA . 85.0 p -58.38 -50.59 73.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.974 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.564 ' H ' ' HG ' ' A' ' 15' ' ' SER . . . -74.12 -30.01 62.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.386 -0.821 . . . . 0.0 109.043 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -57.65 -36.52 71.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.228 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.35 -14.75 29.72 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.301 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.542 ' N ' HD21 ' A' ' 19' ' ' ASN . 2.0 m120 -63.88 -33.14 75.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.236 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.4 HD12 HH21 ' A' ' 24' ' ' ARG . 48.6 mt -68.28 152.05 96.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.138 -0.976 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -43.58 133.7 7.28 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.48 2.12 . . . . 0.0 112.095 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tt -48.1 -54.28 13.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.563 -0.711 . . . . 0.0 110.795 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 54.0 p-90 -60.91 -42.16 97.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.017 -1.052 . . . . 0.0 110.498 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.565 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.2 ttp180 -60.86 -43.43 98.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.085 -1.01 . . . . 0.0 110.668 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.52 -42.2 54.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.956 -1.09 . . . . 0.0 109.804 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ARG . 93.0 mt-30 -66.95 -37.14 83.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.907 -1.121 . . . . 0.0 108.509 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.05 -52.02 67.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.499 -0.751 . . . . 0.0 109.434 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -31.86 68.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.313 -0.867 . . . . 0.0 110.28 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -83.39 -48.06 10.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.056 -1.028 . . . . 0.0 110.564 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HG3' HH11 ' A' ' 30' ' ' ARG . 50.9 ttm-85 -59.29 -44.1 92.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.826 -1.171 . . . . 0.0 108.997 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 13.4 tm-20 -60.04 -22.17 62.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.046 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -80.68 -21.76 41.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.399 -0.813 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.74 -4.69 66.25 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.537 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 68.4 mt -88.59 -5.55 58.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.095 -1.238 . . . . 0.0 109.635 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 60.3 m-85 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.192 -0.943 . . . . 0.0 109.513 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.781 ' H3 ' ' CA ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.214 -0.77 0 CA-C-O 121.209 0.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 6' ' ' PHE . 13.1 m 46.68 31.88 1.54 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.311 -0.868 . . . . 0.0 109.516 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -56.11 -31.74 63.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.214 -0.929 . . . . 0.0 108.924 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -76.76 -56.77 4.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.31 -0.869 . . . . 0.0 108.956 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -64.51 -39.2 93.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.563 ' N ' ' O ' ' A' ' 2' ' ' SER . 37.9 t80 -57.65 -60.11 4.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.321 -0.862 . . . . 0.0 109.884 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.657 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.37 -36.17 31.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 110.037 -178.81 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.82 70.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.5 t -72.08 -47.34 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.036 -1.04 . . . . 0.0 111.225 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 85.18 18.73 60.28 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -148.4 158.66 44.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.214 -1.168 . . . . 0.0 109.418 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -73.38 154.54 40.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.608 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -54.43 -28.5 44.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.511 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.7 m -60.79 -44.84 96.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 108.909 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.31 58.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -58.57 -37.12 75.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.865 . . . . 0.0 109.14 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.43 8.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.315 -0.866 . . . . 0.0 109.333 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.39 -31.5 70.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -0.8 . . . . 0.0 110.207 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' CD1' HH21 ' A' ' 24' ' ' ARG . 79.7 mt -69.94 152.03 96.04 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.219 -0.926 . . . . 0.0 109.977 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -43.29 136.18 5.77 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.457 2.105 . . . . 0.0 112.139 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -52.56 -43.75 65.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.497 -0.752 . . . . 0.0 110.815 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.552 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.1 p-90 -71.48 -39.8 70.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.046 -1.034 . . . . 0.0 110.472 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.552 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.7 ttp180 -61.38 -43.04 99.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.123 -0.986 . . . . 0.0 110.683 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.512 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 39.4 mt-30 -50.83 -41.94 58.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.005 -1.06 . . . . 0.0 109.846 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.88 -38.7 91.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 108.563 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.44 -52.15 65.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.432 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.37 -32.14 68.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 110.287 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.512 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.6 mtm180 -78.35 -42.45 30.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 110.592 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.61 -39.17 91.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 108.957 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.52 -20.54 56.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.9 . . . . 0.0 108.998 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HG2' HH11 ' A' ' 32' ' ' ARG . 40.2 mtt-85 -111.72 8.83 20.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.9 47.18 14.62 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' O ' ' CG ' ' A' ' 35' ' ' PHE . 77.7 mt -144.3 9.72 1.44 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.131 -1.217 . . . . 0.0 109.576 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 23.6 p90 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.53 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 1.037 ' H3 ' ' OD1' ' A' ' 3' ' ' ASP . . . . . . . . 0 C--O 1.216 -0.703 0 CA-C-O 121.263 0.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 6' ' ' PHE . 3.1 p 46.79 35.41 3.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 109.475 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 1.037 ' OD1' ' H3 ' ' A' ' 1' ' ' LEU . 7.0 m-20 -56.32 -32.66 64.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 108.905 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -77.94 -56.92 4.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 108.949 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.5 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.421 -0.799 . . . . 0.0 109.235 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.543 ' N ' ' O ' ' A' ' 2' ' ' SER . 50.3 t80 -56.74 -59.2 5.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.868 . . . . 0.0 109.777 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -50.29 -33.19 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.32 -29.46 63.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.2 t -73.77 -50.26 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.114 -0.992 . . . . 0.0 111.189 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.65 21.14 72.75 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.6 ptp -154.79 154.36 32.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -1.125 . . . . 0.0 109.498 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.42 154.51 41.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.328 -0.857 . . . . 0.0 109.581 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.528 HH12 ' CG ' ' A' ' 3' ' ' ASP . 47.8 mtm-85 -54.69 -28.54 48.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.885 . . . . 0.0 109.5 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 m -62.28 -47.37 84.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 0.0 108.939 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.81 66.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.339 -0.851 . . . . 0.0 109.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -59.27 -38.84 81.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 109.14 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 -16.63 20.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.238 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.84 -35.23 79.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 110.169 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' A' ' 25' ' ' GLN . 48.5 mt -62.45 152.95 78.73 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.158 -0.964 . . . . 0.0 110.002 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -43.85 135.7 7.44 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.477 2.118 . . . . 0.0 112.109 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.92 -47.85 67.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.861 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.522 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 43.1 p-90 -63.82 -36.91 85.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.096 -1.003 . . . . 0.0 110.556 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.522 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 3.1 ttp180 -67.58 -45.98 73.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.138 -0.976 . . . . 0.0 110.677 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' OE1' ' O ' ' A' ' 20' ' ' LEU . 25.7 mt-30 -51.54 -45.66 63.07 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.063 -1.023 . . . . 0.0 109.811 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.23 -33.43 75.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.898 -1.126 . . . . 0.0 108.512 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.91 -52.22 57.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.501 -0.75 . . . . 0.0 109.431 179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.58 -31.37 68.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.1 mtm180 -75.71 -42.46 50.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 110.641 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -63.2 -44.73 94.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.853 -1.155 . . . . 0.0 109.006 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.24 -15.64 60.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.902 . . . . 0.0 109.011 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.666 HH11 ' CG ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -89.75 -22.69 22.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.578 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.88 3.3 66.06 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 mt -104.06 160.04 15.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.163 -1.198 . . . . 0.0 109.64 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.241 -0.912 . . . . 0.0 109.497 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.787 ' CA ' ' H3 ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.709 0 CA-C-O 121.255 0.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 6' ' ' PHE . 12.5 m 46.27 34.62 2.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.908 . . . . 0.0 109.442 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 29.4 p-10 -56.59 -31.85 64.67 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.135 -0.978 . . . . 0.0 108.916 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 36.2 tp10 -79.39 -56.01 4.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.332 -0.855 . . . . 0.0 108.948 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.55 -39.14 93.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 2' ' ' SER . 45.0 t80 -59.38 -59.42 5.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.355 -0.841 . . . . 0.0 109.874 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.657 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -50.8 -36.65 38.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.972 -178.73 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.72 68.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.7 t -72.98 -49.69 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.964 . . . . 0.0 111.284 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 78.33 21.61 69.65 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 ptp -151.56 157.61 42.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.154 -1.203 . . . . 0.0 109.449 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -74.09 156.23 37.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.564 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -54.67 -28.51 47.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.923 . . . . 0.0 109.47 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -61.6 -48.97 78.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.183 -0.948 . . . . 0.0 108.912 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -42.64 67.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.355 -0.84 . . . . 0.0 108.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -58.53 -37.69 76.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.17 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -16.66 12.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.299 -0.876 . . . . 0.0 109.283 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.33 -36.02 74.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD1' HH21 ' A' ' 24' ' ' ARG . 61.7 mt -61.61 151.78 77.0 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.181 -0.949 . . . . 0.0 109.981 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -42.0 144.3 1.03 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.481 2.121 . . . . 0.0 112.136 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.58 -38.15 77.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.577 -0.702 . . . . 0.0 110.8 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.435 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 45.9 p-90 -79.53 -31.46 42.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.065 -1.022 . . . . 0.0 110.548 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.458 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.9 ttp180 -70.43 -48.34 56.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.083 -1.011 . . . . 0.0 110.643 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.518 HE21 ' NH2' ' A' ' 29' ' ' ARG . 15.3 pt20 -48.3 -39.91 23.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 0.0 109.816 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.0 -38.06 85.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.862 -1.149 . . . . 0.0 108.548 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -51.43 68.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.457 -0.777 . . . . 0.0 109.483 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.39 -31.2 69.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.297 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.518 ' NH2' HE21 ' A' ' 25' ' ' GLN . 81.3 mtm180 -75.25 -46.37 34.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.041 -1.037 . . . . 0.0 110.576 -178.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -65.97 -33.62 76.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.799 -1.188 . . . . 0.0 108.98 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.3 -24.88 60.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.288 -0.883 . . . . 0.0 109.038 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -109.06 -10.3 15.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.473 -0.767 . . . . 0.0 110.532 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.27 9.08 85.79 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 mt -112.56 139.84 47.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.089 -1.242 . . . . 0.0 109.632 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.6 p90 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.211 -0.931 . . . . 0.0 109.538 -179.555 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.787 ' CA ' ' H1 ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.214 -0.793 0 CA-C-O 121.372 0.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.472 ' HG ' ' H ' ' A' ' 6' ' ' PHE . 23.4 p -141.76 68.49 1.33 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.514 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -58.13 -32.93 68.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 108.9 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -66.52 -50.36 63.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.408 -0.808 . . . . 0.0 108.95 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -75.24 -49.7 18.49 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.472 ' H ' ' HG ' ' A' ' 2' ' ' SER . 43.8 t80 -53.29 -58.95 5.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -50.56 -36.24 33.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.261 -0.899 . . . . 0.0 109.983 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.06 65.96 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.63 -51.19 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.77 26.27 56.59 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.3 ptm -157.87 157.45 33.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.156 -1.203 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.6 p -72.8 154.02 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 109.561 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -54.15 -28.17 38.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.544 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 t -60.74 -46.57 89.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 108.964 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -43.0 63.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.389 -0.819 . . . . 0.0 109.034 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.45 -35.76 74.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.251 -0.906 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -17.22 23.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.229 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -59.3 -34.93 72.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.384 -0.823 . . . . 0.0 110.139 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.548 ' CD1' HH21 ' A' ' 24' ' ' ARG . 76.2 mt -63.82 151.67 88.52 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.118 -0.989 . . . . 0.0 109.923 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -42.22 141.41 2.03 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.458 2.105 . . . . 0.0 112.123 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.55 -37.66 70.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.568 -0.707 . . . . 0.0 110.84 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 47.7 p-90 -78.64 -30.96 46.68 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 110.482 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.548 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.7 ttp180 -69.8 -46.57 65.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.018 -1.051 . . . . 0.0 110.729 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.8 pt20 -48.82 -40.8 30.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.015 -1.053 . . . . 0.0 109.798 -179.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.4 -37.16 84.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.836 -1.165 . . . . 0.0 108.503 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 18.7 t-20 -62.27 -51.26 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.441 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -71.09 -31.18 67.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.37 -0.831 . . . . 0.0 110.29 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.1 mtm180 -79.45 -44.24 21.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.054 -1.029 . . . . 0.0 110.579 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -61.03 -42.01 97.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.023 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 2.3 mp0 -64.92 -14.38 59.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 109.056 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.565 ' CA ' ' HE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.3 -16.06 28.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 110.527 -178.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.54 -2.88 81.18 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 73.5 mt -85.72 -10.99 54.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.12 -1.224 . . . . 0.0 109.614 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 50.5 m-85 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.292 -0.88 . . . . 0.0 109.51 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.779 ' H3 ' ' CA ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.324 0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.3 m -63.43 72.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.508 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.9 p30 -59.9 -31.79 70.14 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.234 -0.916 . . . . 0.0 108.932 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.2 tt0 -69.5 -54.41 14.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.92 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -72.36 -44.15 62.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.402 -0.811 . . . . 0.0 109.191 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CE2' ' NE ' ' A' ' 14' ' ' ARG . 55.4 t80 -52.12 -60.56 3.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.792 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -49.53 -34.46 17.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.08 66.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 110.311 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t -73.76 -48.69 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.021 . . . . 0.0 111.245 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . 0.533 ' C ' ' SD ' ' A' ' 12' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.9 7.99 55.96 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.533 ' SD ' ' C ' ' A' ' 10' ' ' PF5 . 0.0 OUTLIER -144.01 169.9 16.96 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 179.681 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 p -83.34 159.45 21.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.869 . . . . 0.0 109.585 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.729 HH12 HH11 ' A' ' 29' ' ' ARG . 24.6 mmt180 -53.81 -26.8 25.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.283 -0.886 . . . . 0.0 109.5 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -55.82 -48.15 75.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.123 -0.985 . . . . 0.0 108.947 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -49.27 18.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.0 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -56.65 -36.08 69.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.31 -0.868 . . . . 0.0 109.186 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -16.93 18.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.246 -0.909 . . . . 0.0 109.339 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -60.1 -33.94 72.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.569 ' CD1' HH21 ' A' ' 24' ' ' ARG . 80.1 mt -65.48 152.15 92.92 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.217 -0.927 . . . . 0.0 109.967 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -42.85 144.03 1.56 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.521 2.147 . . . . 0.0 112.084 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.27 -37.09 76.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.519 -0.738 . . . . 0.0 110.771 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 49.6 p-90 -78.84 -32.14 46.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.02 -1.05 . . . . 0.0 110.535 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.569 HH21 ' CD1' ' A' ' 20' ' ' LEU . 4.7 ttp180 -67.57 -45.88 74.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.12 -0.988 . . . . 0.0 110.696 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.527 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.2 pt20 -48.89 -42.79 37.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.962 -1.086 . . . . 0.0 109.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' CG ' HH21 ' A' ' 29' ' ' ARG . 81.5 mt-30 -63.61 -36.07 82.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.826 -1.171 . . . . 0.0 108.486 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.87 -52.2 61.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.536 -0.728 . . . . 0.0 109.425 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.11 -32.02 68.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.32 -0.863 . . . . 0.0 110.226 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.729 HH11 HH12 ' A' ' 14' ' ' ARG . 84.2 mtm180 -76.36 -41.94 46.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.04 -1.038 . . . . 0.0 110.559 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -66.91 -35.33 79.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.771 -1.206 . . . . 0.0 109.003 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.16 -25.6 47.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 109.109 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.654 HH11 ' CG ' ' A' ' 32' ' ' ARG . 4.8 mtt-85 -105.71 2.24 27.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.27 1.74 90.45 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.569 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 14.6 mt -89.05 -29.86 19.12 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.112 -1.228 . . . . 0.0 109.629 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 21.0 p90 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.782 ' CA ' ' H3 ' ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.258 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 6' ' ' PHE . 2.3 m -148.04 73.47 1.26 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.238 -0.914 . . . . 0.0 109.537 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 27.7 p-10 -59.82 -32.76 70.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 0.0 108.929 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 35.8 tp10 -70.24 -50.59 38.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.284 -0.885 . . . . 0.0 108.948 179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.14 -47.29 36.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 109.231 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 2' ' ' SER . 41.3 t80 -51.12 -58.36 6.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.271 -0.893 . . . . 0.0 109.791 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.08 -38.25 50.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.226 -0.922 . . . . 0.0 109.937 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.63 66.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.316 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.8 t -72.66 -53.09 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.08 -1.013 . . . . 0.0 111.201 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.37 18.27 79.26 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 tpp -143.58 157.71 44.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.238 -1.154 . . . . 0.0 109.442 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.3 p -77.68 152.43 33.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.599 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -53.49 -29.07 34.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 109.452 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -67.12 -45.62 76.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 -35.45 63.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.388 -0.82 . . . . 0.0 109.054 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -59.07 -34.77 72.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 109.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -9.24 5.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 0.0 109.23 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.74 -32.73 74.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.806 . . . . 0.0 110.228 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD13 HH21 ' A' ' 24' ' ' ARG . 6.4 mt -71.21 153.77 94.13 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.128 -0.982 . . . . 0.0 109.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -44.21 132.96 9.05 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.481 2.121 . . . . 0.0 112.135 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -50.56 -44.74 56.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.513 -0.742 . . . . 0.0 110.821 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.566 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.0 p-90 -70.38 -41.02 73.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.099 -1.001 . . . . 0.0 110.471 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.566 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 28.9 ttp180 -62.58 -41.59 99.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.125 -0.984 . . . . 0.0 110.662 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -49.16 -40.83 34.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.002 -1.061 . . . . 0.0 109.766 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.6 -38.22 90.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.865 -1.147 . . . . 0.0 108.505 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -60.54 -49.38 77.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.74 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -72.49 -31.74 65.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 0.0 110.302 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -82.56 -50.13 9.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.033 . . . . 0.0 110.579 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 30' ' ' ARG . 51.5 ttm-85 -59.68 -43.63 93.94 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.775 -1.203 . . . . 0.0 109.017 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.81 -20.85 62.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.317 -0.865 . . . . 0.0 109.092 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -81.56 -21.1 38.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.456 -0.777 . . . . 0.0 110.512 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.98 -3.7 70.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.901 -1.279 . . . . 0.0 109.901 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 68.8 mt -89.73 -4.56 57.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.097 -1.237 . . . . 0.0 109.607 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 62.3 m-85 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.462 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -71.92 -54.88 8.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 108.961 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.64 -42.75 70.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.357 -0.84 . . . . 0.0 109.206 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -52.61 -58.74 5.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.854 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.649 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.41 -36.41 32.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 0.0 109.991 -179.038 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -28.99 66.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.3 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 0.0 111.284 -178.798 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 ptp -151.51 155.35 38.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -1.155 . . . . 0.0 109.388 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 p -70.89 155.28 41.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.264 -0.897 . . . . 0.0 109.52 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -54.95 -28.44 51.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.236 -0.915 . . . . 0.0 109.561 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.9 p -62.82 -44.6 95.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.113 -0.992 . . . . 0.0 108.893 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.76 60.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.382 -0.824 . . . . 0.0 109.057 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -58.96 -38.6 79.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.164 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -16.57 18.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.315 -0.865 . . . . 0.0 109.223 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.03 -32.39 73.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.153 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.682 HD13 HH21 ' A' ' 24' ' ' ARG . 60.1 mt -68.58 151.77 97.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.171 -0.955 . . . . 0.0 109.974 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -44.26 136.43 8.2 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.393 2.062 . . . . 0.0 112.139 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.04 -46.83 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.545 -0.722 . . . . 0.0 110.891 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.524 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 37.8 p-90 -65.1 -36.29 83.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.016 -1.052 . . . . 0.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.682 HH21 HD13 ' A' ' 20' ' ' LEU . 3.1 ttp180 -67.38 -47.07 71.41 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.195 -0.941 . . . . 0.0 110.698 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.466 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 37.0 mt-30 -50.02 -44.44 51.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.007 -1.058 . . . . 0.0 109.798 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.02 -35.35 78.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 108.492 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -65.32 -51.7 58.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 109.508 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.72 -30.27 66.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 0.0 110.316 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.5 mtm180 -77.61 -46.47 22.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 110.554 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.36 -41.71 96.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.786 -1.196 . . . . 0.0 108.975 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.13 -18.99 62.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.151 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -90.49 -6.59 54.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.389 -0.819 . . . . 0.0 110.535 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.437 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.883 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.8 p30 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.1 tt0 -67.06 -48.74 67.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 108.891 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -75.52 -52.02 11.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 0.0 109.159 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -51.89 -59.27 4.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.4 HH21 HG22 ' A' ' 13' ' ' THR . 41.8 ttm180 -50.79 -36.42 36.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.293 -0.879 . . . . 0.0 110.009 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -28.01 65.87 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.279 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.136 -0.978 . . . . 0.0 111.256 -178.887 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -144.33 164.43 30.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -1.163 . . . . 0.0 109.349 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.4 HG22 HH21 ' A' ' 7' ' ' ARG . 11.6 p -76.43 156.68 32.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -54.9 -27.74 45.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 0.0 109.501 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -56.13 -45.71 79.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 108.891 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.28 35.58 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.819 . . . . 0.0 109.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -56.8 -35.47 68.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 109.187 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -17.79 10.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.4 -36.22 73.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.297 -0.877 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.71 HD13 HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.41 151.77 90.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.21 -0.931 . . . . 0.0 109.964 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -42.14 142.13 1.73 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.454 2.103 . . . . 0.0 112.064 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.29 -38.32 73.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.731 . . . . 0.0 110.787 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.411 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 44.7 p-90 -78.7 -29.82 45.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 110.522 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.71 HH21 HD13 ' A' ' 20' ' ' LEU . 4.8 ttp180 -70.88 -46.99 61.62 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.087 -1.008 . . . . 0.0 110.685 -178.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.528 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.9 pt20 -48.97 -42.56 38.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.948 -1.095 . . . . 0.0 109.863 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.43 ' CG ' HH21 ' A' ' 29' ' ' ARG . 94.4 mt-30 -64.98 -35.25 80.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.838 -1.164 . . . . 0.0 108.493 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -64.48 -52.88 55.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.49 -0.756 . . . . 0.0 109.467 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.2 mt -69.4 -32.09 70.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.528 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 83.5 mtm180 -76.48 -41.53 46.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.542 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.99 -34.55 76.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.798 -1.189 . . . . 0.0 109.039 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.22 -22.14 64.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.096 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -105.38 -0.37 26.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.803 . . . . 0.0 110.493 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.155 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -69.13 -52.13 31.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 108.981 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -69.14 -40.86 78.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.396 -0.815 . . . . 0.0 109.128 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -52.65 -59.19 4.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.888 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -50.59 -36.02 32.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.938 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.37 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 0.0 110.327 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.146 -0.971 . . . . 0.0 111.288 -178.737 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 ptp -150.35 155.46 39.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.237 -1.155 . . . . 0.0 109.392 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -72.32 156.81 38.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.299 -0.876 . . . . 0.0 109.589 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -54.51 -28.42 45.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -62.25 -46.55 88.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.962 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 19' ' ' ASN . . . -74.93 -44.72 46.97 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.009 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.421 ' C ' ' H ' ' A' ' 19' ' ' ASN . 52.0 t80 -56.53 -33.21 65.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.35 -0.844 . . . . 0.0 109.094 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.49 -5.44 1.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.25 -0.906 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 17' ' ' PHE . 18.3 p-10 -67.83 -30.88 70.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 110.179 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.666 HD13 HH21 ' A' ' 24' ' ' ARG . 16.4 mt -66.46 151.51 96.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.184 -0.947 . . . . 0.0 109.949 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -42.38 143.93 1.33 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.473 2.115 . . . . 0.0 112.082 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.32 -38.89 71.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.501 -0.749 . . . . 0.0 110.838 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.6 p-90 -79.79 -30.57 40.62 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.105 -0.997 . . . . 0.0 110.537 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.666 HH21 HD13 ' A' ' 20' ' ' LEU . 6.0 ttp180 -70.95 -47.39 59.25 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.111 -0.993 . . . . 0.0 110.672 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -48.4 -39.58 22.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.818 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.96 -36.66 82.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.873 -1.142 . . . . 0.0 108.51 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -62.25 -52.29 64.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.492 -0.755 . . . . 0.0 109.469 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.94 -31.91 71.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.298 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -79.1 -44.25 22.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.986 -1.071 . . . . 0.0 110.519 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.842 -1.162 . . . . 0.0 108.976 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.15 -17.39 63.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.029 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.38 -23.41 32.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 0.0 110.548 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 33.9 p-10 . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 6.5 tp10 -67.85 -50.28 57.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.459 -0.776 . . . . 0.0 108.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -74.59 -47.41 32.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.336 -0.852 . . . . 0.0 109.222 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -52.52 -59.78 4.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 109.817 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.71 -36.63 37.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 -178.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.77 -27.94 66.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.497 ' CG1' HH11 ' A' ' 32' ' ' ARG . 70.7 t . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.137 -0.977 . . . . 0.0 111.244 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.1 ptp -146.06 163.27 35.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.173 -1.192 . . . . 0.0 109.391 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -76.8 158.33 30.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 109.579 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -54.41 -27.2 35.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.47 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -56.02 -47.1 78.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 108.957 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -45.82 42.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.394 -0.816 . . . . 0.0 108.993 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -57.4 -37.49 72.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.184 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.64 -12.44 1.82 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.241 -0.912 . . . . 0.0 109.27 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.87 -30.03 71.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.345 -0.847 . . . . 0.0 110.217 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.679 HD13 HH21 ' A' ' 24' ' ' ARG . 38.9 mt -72.4 152.49 92.03 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.18 -0.95 . . . . 0.0 109.996 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -44.28 134.73 8.91 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.536 2.158 . . . . 0.0 112.139 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.44 -45.89 56.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.586 -0.696 . . . . 0.0 110.842 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.57 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.6 p-90 -69.49 -41.09 76.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.056 -1.028 . . . . 0.0 110.517 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.679 HH21 HD13 ' A' ' 20' ' ' LEU . 4.3 ttp180 -60.94 -41.66 96.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.082 -1.011 . . . . 0.0 110.726 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.537 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 79.5 mt-30 -50.8 -42.36 58.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.983 -1.073 . . . . 0.0 109.868 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.527 ' OE1' ' NH2' ' A' ' 29' ' ' ARG . 15.6 mm100 -63.05 -38.42 91.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.856 -1.152 . . . . 0.0 108.509 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.21 -50.68 72.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.441 -0.787 . . . . 0.0 109.387 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -73.57 -31.71 63.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 110.242 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 86.2 mtm180 -79.15 -46.56 17.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.078 -1.014 . . . . 0.0 110.602 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.66 -35.51 80.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.725 -1.235 . . . . 0.0 109.002 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.19 -24.45 63.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 0.0 109.014 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.497 HH11 ' CG1' ' A' ' 9' ' ' VAL . 95.5 mtt180 -107.44 8.18 29.37 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 110.521 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 C-N-CA 119.656 -1.259 . . . . 0.0 109.963 179.407 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.32 -53.46 29.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.324 -0.86 . . . . 0.0 108.948 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.59 -47.7 30.9 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.309 -0.87 . . . . 0.0 109.226 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 31.4 t80 -52.05 -59.75 3.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.312 -0.867 . . . . 0.0 109.813 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.653 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.74 -36.38 36.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 110.018 -178.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.08 68.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.254 -0.904 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.046 -1.034 . . . . 0.0 111.272 -178.864 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.8 ptp -145.24 162.35 37.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.18 -1.188 . . . . 0.0 109.476 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -75.16 154.99 37.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.637 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -54.75 -28.06 45.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.226 -0.921 . . . . 0.0 109.477 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 m -57.78 -44.18 86.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 108.989 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -45.99 39.98 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 109.125 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -58.65 -36.64 74.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.862 . . . . 0.0 109.174 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -17.46 13.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.298 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -60.82 -33.55 73.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 110.191 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.723 HD13 HH21 ' A' ' 24' ' ' ARG . 76.3 mt -66.22 151.56 95.51 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.112 -0.993 . . . . 0.0 110.0 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -44.27 140.32 5.77 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.493 2.129 . . . . 0.0 112.098 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.06 -39.16 74.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.567 -0.708 . . . . 0.0 110.821 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 36.2 p-90 -73.93 -29.06 61.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.999 -1.063 . . . . 0.0 110.481 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.723 HH21 HD13 ' A' ' 20' ' ' LEU . 4.4 ttp180 -73.89 -49.07 26.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.146 -0.971 . . . . 0.0 110.668 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.559 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.5 pt20 -48.64 -44.21 37.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.954 -1.091 . . . . 0.0 109.842 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' HH21 ' A' ' 29' ' ' ARG . 91.6 mt-30 -62.51 -35.62 79.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.938 -1.101 . . . . 0.0 108.551 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -65.5 -51.94 56.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.522 -0.736 . . . . 0.0 109.46 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.71 -32.06 69.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.461 -0.774 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.9 mtm180 -74.35 -44.72 51.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.03 -1.043 . . . . 0.0 110.61 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -68.92 -32.28 71.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.788 -1.195 . . . . 0.0 109.021 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.22 -24.03 64.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 0.0 108.979 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.531 HH11 ' HG2' ' A' ' 32' ' ' ARG . 67.8 mtt-85 -106.1 4.69 29.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.408 -0.808 . . . . 0.0 110.523 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.448 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.168 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.56 -52.67 35.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 0.0 108.955 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.17 -43.64 81.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.408 -0.808 . . . . 0.0 109.25 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -53.89 -59.95 3.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 0.0 109.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.654 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -49.53 -34.54 17.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 0.0 110.014 -178.633 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.59 -27.45 65.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.198 -0.939 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.54 HG13 ' NH1' ' A' ' 32' ' ' ARG . 70.4 t . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.236 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.0 ttp -149.78 161.7 41.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.175 -1.191 . . . . 0.0 109.38 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -78.79 151.49 31.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 0.0 109.606 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -60.2 -28.71 68.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.46 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p -58.62 -51.64 69.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -0.952 . . . . 0.0 108.912 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.73 -31.35 64.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -56.59 -33.69 66.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 109.186 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.99 -14.59 55.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.277 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.8 -34.23 77.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.393 -0.817 . . . . 0.0 110.191 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.69 HD13 HH21 ' A' ' 24' ' ' ARG . 43.5 mt -66.82 151.76 96.41 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.163 -0.961 . . . . 0.0 109.992 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -43.04 135.07 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.505 2.137 . . . . 0.0 112.088 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -51.29 -44.41 61.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.502 -0.749 . . . . 0.0 110.845 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.4 p-90 -69.46 -39.5 77.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.061 -1.025 . . . . 0.0 110.511 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.69 HH21 HD13 ' A' ' 20' ' ' LEU . 3.4 ttp180 -62.93 -43.78 97.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.072 -1.017 . . . . 0.0 110.767 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -50.7 -42.1 56.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.926 -1.109 . . . . 0.0 109.796 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ARG . 96.1 mt-30 -66.14 -36.96 84.51 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.83 -1.169 . . . . 0.0 108.499 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.79 -52.22 66.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.511 -0.743 . . . . 0.0 109.474 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.77 -32.57 71.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 0.0 110.275 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -83.42 -45.76 13.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.065 -1.022 . . . . 0.0 110.643 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' GLN . 40.0 ttm180 -60.35 -43.99 95.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.846 -1.159 . . . . 0.0 109.004 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.23 -14.77 57.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 0.0 109.096 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.668 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.08 -12.0 36.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 110.521 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -69.44 -55.29 10.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 108.906 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.87 -43.13 75.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.288 -0.883 . . . . 0.0 109.207 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.631 ' CD2' ' NH1' ' A' ' 14' ' ' ARG . 51.8 t80 -51.38 -59.1 4.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.85 . . . . 0.0 109.835 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -50.0 -36.25 27.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.865 . . . . 0.0 109.984 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.3 66.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 0.0 110.262 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.111 -0.993 . . . . 0.0 111.25 -178.711 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.9 ptp -151.04 155.7 39.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -1.132 . . . . 0.0 109.453 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 p -73.42 157.8 36.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 109.568 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.631 ' NH1' ' CD2' ' A' ' 6' ' ' PHE . 82.4 mtt-85 -54.62 -28.4 46.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.19 -0.944 . . . . 0.0 109.475 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 m -62.33 -47.16 85.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -0.998 . . . . 0.0 108.968 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.1 57.51 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.023 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -59.07 -38.48 79.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.867 . . . . 0.0 109.189 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.62 -15.46 11.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.315 -0.865 . . . . 0.0 109.222 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.06 -33.74 74.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.739 HD13 HH21 ' A' ' 24' ' ' ARG . 61.9 mt -65.78 152.34 93.24 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 109.973 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -43.12 134.33 5.95 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.458 2.106 . . . . 0.0 112.128 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.42 -45.11 55.54 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.606 -0.683 . . . . 0.0 110.799 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.554 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.8 p-90 -69.55 -40.24 76.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.018 -1.052 . . . . 0.0 110.484 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.739 HH21 HD13 ' A' ' 20' ' ' LEU . 3.6 ttp180 -61.69 -43.27 99.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.2 -0.937 . . . . 0.0 110.66 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 77.6 mt-30 -50.83 -42.2 58.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 109.928 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.47 -36.61 84.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.909 -1.119 . . . . 0.0 108.543 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -62.97 -51.55 66.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.473 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.6 mt -71.3 -29.83 65.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.292 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -79.3 -46.87 16.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.997 -1.064 . . . . 0.0 110.516 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -63.22 -40.99 99.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.787 -1.196 . . . . 0.0 108.981 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -62.66 -18.66 62.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.057 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 1.4 tpm_? -95.84 -6.99 38.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.508 -0.745 . . . . 0.0 110.628 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -67.05 -49.32 65.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.933 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.71 -42.52 86.22 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.34 -0.85 . . . . 0.0 109.21 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -56.48 -59.66 4.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.794 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.06 -35.29 24.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.996 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.41 65.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.912 . . . . 0.0 110.305 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.036 -1.04 . . . . 0.0 111.216 -178.706 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 ptp -151.08 156.93 42.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -1.151 . . . . 0.0 109.452 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 p -70.92 154.87 41.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.577 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -54.77 -28.39 48.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -0.894 . . . . 0.0 109.447 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.5 p -62.98 -46.89 85.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.0 108.919 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.78 -42.73 60.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.006 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.02 -38.94 80.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.182 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -16.5 10.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.275 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -62.67 -33.31 74.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.874 . . . . 0.0 110.198 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.701 HD13 HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.38 152.62 88.43 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.174 -0.954 . . . . 0.0 110.02 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.66 135.21 9.78 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.443 2.096 . . . . 0.0 112.127 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.66 -47.43 67.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.61 -0.681 . . . . 0.0 110.832 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 39.5 p-90 -64.37 -36.39 83.99 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.03 -1.044 . . . . 0.0 110.495 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.701 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -67.91 -46.37 71.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.084 -1.01 . . . . 0.0 110.683 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 78.3 mt-30 -49.88 -45.77 50.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.997 -1.065 . . . . 0.0 109.817 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.76 -37.72 85.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.856 -1.152 . . . . 0.0 108.501 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -62.21 -50.73 70.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.441 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.4 mt -73.4 -31.66 64.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.298 -0.876 . . . . 0.0 110.31 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -80.1 -48.02 13.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.953 -1.092 . . . . 0.0 110.621 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.14 -43.9 92.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.789 -1.195 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.71 -19.05 63.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.256 -0.903 . . . . 0.0 109.082 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -88.84 -20.97 23.96 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.461 -0.774 . . . . 0.0 110.492 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.574 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.56 -54.01 10.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 0.0 108.935 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -71.38 -41.84 69.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.85 . . . . 0.0 109.168 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -52.75 -59.06 4.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.389 -0.82 . . . . 0.0 109.858 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 13' ' ' THR . 42.7 ttm180 -50.35 -36.34 31.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 109.926 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.79 -27.85 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 110.337 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.071 -1.018 . . . . 0.0 111.276 -178.647 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -142.47 166.8 23.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -1.123 . . . . 0.0 109.375 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.422 HG22 HH21 ' A' ' 7' ' ' ARG . 31.7 p -82.55 155.65 24.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -53.35 -28.64 29.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 109.487 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -65.59 -47.21 76.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 108.958 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.35 -44.43 45.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 0.0 109.007 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -56.95 -38.06 72.43 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.28 22.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.266 -0.896 . . . . 0.0 109.244 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -61.96 -30.68 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.315 -0.865 . . . . 0.0 110.143 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.737 HD13 HH21 ' A' ' 24' ' ' ARG . 71.1 mt -66.51 151.85 95.65 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.217 -0.927 . . . . 0.0 109.965 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -42.92 136.73 4.7 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.445 2.097 . . . . 0.0 112.062 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -52.55 -43.03 64.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.556 -0.715 . . . . 0.0 110.837 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.543 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.3 p-90 -71.86 -39.37 69.73 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.122 -0.986 . . . . 0.0 110.472 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.737 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.91 -43.74 98.21 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.149 -0.969 . . . . 0.0 110.698 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -49.98 -42.37 48.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.028 -1.045 . . . . 0.0 109.868 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.474 ' OE1' ' NH2' ' A' ' 29' ' ' ARG . 24.7 mm100 -62.79 -39.02 92.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.926 -1.109 . . . . 0.0 108.437 178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -60.77 -49.92 75.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.484 -0.76 . . . . 0.0 109.469 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 mt -73.44 -31.61 63.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 110.303 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.474 ' NH2' ' OE1' ' A' ' 26' ' ' GLN . 83.1 mtm180 -82.5 -46.85 12.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.098 -1.001 . . . . 0.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.05 -43.58 95.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.909 -1.119 . . . . 0.0 109.035 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.72 -14.25 57.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -0.872 . . . . 0.0 109.048 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.97 -11.27 36.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.497 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.44 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -179.846 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -70.38 -51.92 26.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.56 -44.88 69.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.416 -0.803 . . . . 0.0 109.203 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.74 -59.31 5.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 0.0 109.795 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -50.07 -36.02 27.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.75 67.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.941 . . . . 0.0 110.305 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 111.214 -178.461 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.9 ttm -143.33 158.81 43.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -1.172 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -77.54 150.9 34.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.512 ' HG3' HH11 ' A' ' 14' ' ' ARG . 45.0 mtm-85 -57.15 -29.98 64.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 109.426 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -68.46 -47.07 68.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 108.966 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.14 63.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.337 -0.852 . . . . 0.0 109.089 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.23 -39.58 79.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.298 -0.876 . . . . 0.0 109.208 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -17.33 25.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.203 -0.936 . . . . 0.0 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -62.55 -35.88 80.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.366 -0.833 . . . . 0.0 110.224 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.721 HD22 ' NH2' ' A' ' 24' ' ' ARG . 82.5 mt -55.78 152.04 20.95 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.153 -0.967 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -42.75 142.32 2.12 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.475 2.116 . . . . 0.0 112.101 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 tp -57.3 -37.46 72.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.496 -0.753 . . . . 0.0 110.813 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.456 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.5 p-90 -79.09 -32.87 44.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.039 -1.038 . . . . 0.0 110.517 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.721 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.7 ttp180 -68.7 -49.55 58.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 110.7 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.467 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 7.0 pt20 -48.37 -40.54 25.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.98 -1.075 . . . . 0.0 109.817 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.409 ' CG ' HH21 ' A' ' 29' ' ' ARG . 92.0 mt-30 -65.99 -35.44 80.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 108.507 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.4 -52.65 57.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.486 -0.759 . . . . 0.0 109.468 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.7 mt -69.04 -32.09 71.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 110.299 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 82.4 mtm180 -75.39 -45.59 38.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.002 . . . . 0.0 110.618 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -68.73 -33.9 74.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.785 -1.197 . . . . 0.0 109.0 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -52.6 -26.75 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.195 -0.941 . . . . 0.0 109.051 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.696 HH11 ' HG2' ' A' ' 32' ' ' ARG . 13.6 mtt-85 -107.8 -2.25 20.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.501 -0.749 . . . . 0.0 110.525 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.519 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.752 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.0 t0 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -77.96 -57.16 3.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 0.0 108.955 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.65 -39.05 93.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.379 -0.826 . . . . 0.0 109.229 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -56.94 -59.46 5.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.849 . . . . 0.0 109.838 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -49.81 -34.81 20.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.977 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -28.68 64.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.215 -0.928 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.102 -0.999 . . . . 0.0 111.19 -178.51 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.1 ptm -163.51 155.39 17.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -1.157 . . . . 0.0 109.445 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -70.9 153.58 42.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 109.585 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.487 ' HG3' HH11 ' A' ' 14' ' ' ARG . 49.5 mtm-85 -55.23 -28.84 56.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 109.447 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -63.15 -44.36 95.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.222 -0.923 . . . . 0.0 108.878 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.39 -39.29 62.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.404 -0.81 . . . . 0.0 109.068 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.51 -35.35 75.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 109.154 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -15.54 25.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.262 -0.899 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.38 -32.63 72.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 110.217 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HH21 ' A' ' 24' ' ' ARG . 78.2 mt -67.72 152.44 96.31 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.92 . . . . 0.0 109.932 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -43.59 133.22 7.42 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.473 2.115 . . . . 0.0 112.16 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.1 tt -48.17 -53.24 17.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.515 -0.74 . . . . 0.0 110.834 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.3 p-90 -61.74 -41.73 98.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.497 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.735 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -60.93 -44.21 97.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.191 -0.943 . . . . 0.0 110.662 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 77.2 mt-30 -50.7 -42.33 56.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.891 -1.131 . . . . 0.0 109.816 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.478 ' OE1' ' NH2' ' A' ' 29' ' ' ARG . 19.2 mm100 -65.66 -36.23 83.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.845 -1.159 . . . . 0.0 108.492 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -62.28 -52.53 63.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.564 -0.71 . . . . 0.0 109.453 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -70.35 -31.4 68.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.573 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.7 mtm180 -79.45 -41.29 27.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.048 -1.033 . . . . 0.0 110.519 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -62.83 -45.04 94.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.778 -1.201 . . . . 0.0 109.01 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.1 -17.34 62.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.074 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -86.11 -23.0 26.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.431 -0.793 . . . . 0.0 110.503 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.469 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.795 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -71.8 -53.01 14.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 108.94 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -69.54 -42.75 74.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.409 -0.807 . . . . 0.0 109.25 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.98 -58.8 5.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.354 -0.841 . . . . 0.0 109.839 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.666 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.24 -36.72 32.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 -178.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.1 67.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 110.325 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.099 -1.0 . . . . 0.0 111.24 -178.809 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ptm -158.23 153.82 26.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.233 -1.157 . . . . 0.0 109.431 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.96 155.47 40.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 0.0 109.616 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -54.33 -28.63 43.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.529 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m -61.26 -45.35 94.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 108.901 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' OD1' ' A' ' 19' ' ' ASN . . . -73.99 -44.06 55.96 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.982 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' C ' ' H ' ' A' ' 19' ' ' ASN . 43.8 t80 -56.9 -33.22 66.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.192 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.13 -1.75 1.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 16' ' ' ALA . 26.3 p-10 -73.35 -24.59 60.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.379 -0.826 . . . . 0.0 110.218 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HH21 ' A' ' 24' ' ' ARG . 11.1 mt -76.73 153.73 83.29 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.17 -0.957 . . . . 0.0 109.966 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.41 137.19 8.23 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.463 2.109 . . . . 0.0 112.109 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.8 tp -51.98 -44.41 64.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.532 -0.73 . . . . 0.0 110.845 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.535 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.5 p-90 -71.62 -38.76 70.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 110.455 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.735 HH21 HD13 ' A' ' 20' ' ' LEU . 6.4 ttp180 -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.175 -0.953 . . . . 0.0 110.707 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -50.07 -41.46 47.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.033 -1.042 . . . . 0.0 109.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.65 -37.37 87.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.834 -1.166 . . . . 0.0 108.479 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.42 -52.1 64.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.442 -0.786 . . . . 0.0 109.453 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.21 -30.45 67.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.324 -0.86 . . . . 0.0 110.325 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -80.1 -42.88 22.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.045 -1.035 . . . . 0.0 110.525 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.4 -42.27 92.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.759 -1.213 . . . . 0.0 108.963 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.6 -16.0 59.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 109.107 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 32' ' ' ARG . 1.5 tpm_? -97.0 -6.81 34.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.417 -0.802 . . . . 0.0 110.551 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.43 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 34.3 p-10 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.5 tt0 -69.86 -52.4 25.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.001 179.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -72.45 -44.04 62.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.174 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.08 -59.06 5.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.844 . . . . 0.0 109.85 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.04 -34.8 22.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.53 -29.92 66.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.15 -0.969 . . . . 0.0 110.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.455 HG12 HH11 ' A' ' 32' ' ' ARG . 73.1 t . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.157 -0.965 . . . . 0.0 111.277 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 tpp -141.16 160.61 39.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.216 -1.167 . . . . 0.0 109.384 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 p -83.81 154.86 23.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.599 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -53.41 -28.82 31.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.425 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 t -66.55 -46.73 75.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 108.982 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.5 -43.99 46.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.377 -0.827 . . . . 0.0 109.012 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -56.85 -34.69 68.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.9 . . . . 0.0 109.19 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -14.2 39.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.341 -0.85 . . . . 0.0 109.263 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -61.93 -33.27 73.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.366 -0.834 . . . . 0.0 110.173 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.741 HD13 HH21 ' A' ' 24' ' ' ARG . 81.4 mt -65.63 152.49 92.6 Favored Pre-proline 0 N--CA 1.496 1.865 0 O-C-N 121.174 -0.954 . . . . 0.0 110.024 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -43.06 135.0 5.68 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.429 2.086 . . . . 0.0 112.175 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -50.52 -44.73 56.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.585 -0.697 . . . . 0.0 110.819 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 53.4 p-90 -69.88 -40.58 75.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.741 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.111 -0.993 . . . . 0.0 110.645 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 78.6 mt-30 -50.62 -41.85 55.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.097 -1.002 . . . . 0.0 109.822 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HG3' HH21 ' A' ' 29' ' ' ARG . 95.1 mt-30 -66.42 -36.33 82.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.121 . . . . 0.0 108.479 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.77 -52.24 65.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.501 -0.749 . . . . 0.0 109.433 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -69.14 -31.26 69.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 110.286 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.479 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 86.8 mtm180 -75.82 -38.49 58.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.589 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -70.17 -36.71 74.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.764 -1.21 . . . . 0.0 109.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -56.22 -23.38 35.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 109.082 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.455 HH11 HG12 ' A' ' 9' ' ' VAL . 97.2 mtt180 -111.01 -3.63 15.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.477 -0.764 . . . . 0.0 110.5 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.442 0 C-N-CA 119.672 -1.252 . . . . 0.0 109.983 179.114 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -67.93 -52.72 32.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 108.888 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -66.77 -42.17 86.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.84 . . . . 0.0 109.186 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.2 -60.07 3.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 0.0 109.833 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -49.32 -34.32 15.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.945 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -27.63 65.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.044 -1.035 . . . . 0.0 111.194 -178.359 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 16' ' ' ALA . 44.7 ttp -153.95 159.1 41.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -1.162 . . . . 0.0 109.364 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -76.1 152.19 36.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.887 . . . . 0.0 109.608 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -60.32 -28.35 68.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 109.484 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.0 p -58.38 -50.59 73.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.974 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB3' ' SD ' ' A' ' 12' ' ' MET . . . -74.12 -30.01 62.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.386 -0.821 . . . . 0.0 109.043 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -57.65 -36.52 71.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.228 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.35 -14.75 29.72 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.301 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -63.88 -33.14 75.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.236 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.698 HD13 HH21 ' A' ' 24' ' ' ARG . 48.6 mt -68.28 152.05 96.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.138 -0.976 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -43.58 133.7 7.28 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.48 2.12 . . . . 0.0 112.095 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.3 tt -48.1 -54.28 13.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.563 -0.711 . . . . 0.0 110.795 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 54.0 p-90 -60.91 -42.16 97.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.017 -1.052 . . . . 0.0 110.498 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.698 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -60.86 -43.43 98.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.085 -1.01 . . . . 0.0 110.668 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.52 -42.2 54.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.956 -1.09 . . . . 0.0 109.804 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ARG . 93.0 mt-30 -66.95 -37.14 83.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.907 -1.121 . . . . 0.0 108.509 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.05 -52.02 67.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.499 -0.751 . . . . 0.0 109.434 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -31.86 68.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.313 -0.867 . . . . 0.0 110.28 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -83.39 -48.06 10.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.056 -1.028 . . . . 0.0 110.564 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.462 ' HG3' HH11 ' A' ' 30' ' ' ARG . 50.9 ttm-85 -59.29 -44.1 92.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.826 -1.171 . . . . 0.0 108.997 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 31' ' ' GLU . 13.4 tm-20 -60.04 -22.17 62.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.046 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -80.68 -21.76 41.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.399 -0.813 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -76.76 -56.77 4.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.31 -0.869 . . . . 0.0 108.956 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -64.51 -39.2 93.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -57.65 -60.11 4.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.321 -0.862 . . . . 0.0 109.884 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.665 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.37 -36.17 31.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 110.037 -178.81 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.82 70.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.036 -1.04 . . . . 0.0 111.225 -178.734 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -148.4 158.66 44.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.214 -1.168 . . . . 0.0 109.418 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -73.38 154.54 40.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.608 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -54.43 -28.5 44.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.511 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.7 m -60.79 -44.84 96.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 108.909 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.31 58.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -58.57 -37.12 75.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.865 . . . . 0.0 109.14 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.43 8.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.315 -0.866 . . . . 0.0 109.333 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.39 -31.5 70.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -0.8 . . . . 0.0 110.207 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.73 HD13 HH21 ' A' ' 24' ' ' ARG . 79.7 mt -69.94 152.03 96.04 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.219 -0.926 . . . . 0.0 109.977 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -43.29 136.18 5.77 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.457 2.105 . . . . 0.0 112.139 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -52.56 -43.75 65.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.497 -0.752 . . . . 0.0 110.815 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.552 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.1 p-90 -71.48 -39.8 70.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.046 -1.034 . . . . 0.0 110.472 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.73 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.38 -43.04 99.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.123 -0.986 . . . . 0.0 110.683 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.551 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 39.4 mt-30 -50.83 -41.94 58.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.005 -1.06 . . . . 0.0 109.846 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.88 -38.7 91.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 108.563 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.44 -52.15 65.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.432 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.37 -32.14 68.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 110.287 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.551 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.6 mtm180 -78.35 -42.45 30.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 110.592 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.61 -39.17 91.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 108.957 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.52 -20.54 56.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.9 . . . . 0.0 108.998 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.597 HH11 ' HG2' ' A' ' 32' ' ' ARG . 40.2 mtt-85 -111.72 8.83 20.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -178.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 179.195 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 14' ' ' ARG . 7.0 m-20 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -77.94 -56.92 4.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 108.949 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.5 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.421 -0.799 . . . . 0.0 109.235 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -56.74 -59.2 5.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.868 . . . . 0.0 109.777 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -50.29 -33.19 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.32 -29.46 63.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.546 HG13 ' NH1' ' A' ' 32' ' ' ARG . 72.2 t . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.114 -0.992 . . . . 0.0 111.189 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.6 ptp -154.79 154.36 32.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -1.125 . . . . 0.0 109.498 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.42 154.51 41.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.328 -0.857 . . . . 0.0 109.581 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' A' ' 3' ' ' ASP . 47.8 mtm-85 -54.69 -28.54 48.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.885 . . . . 0.0 109.5 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 m -62.28 -47.37 84.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 0.0 108.939 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.81 66.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.339 -0.851 . . . . 0.0 109.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -59.27 -38.84 81.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 109.14 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -59.13 -16.63 20.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.238 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.84 -35.23 79.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 110.169 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.693 HD13 HH21 ' A' ' 24' ' ' ARG . 48.5 mt -62.45 152.95 78.73 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.158 -0.964 . . . . 0.0 110.002 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -43.85 135.7 7.44 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.477 2.118 . . . . 0.0 112.109 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.92 -47.85 67.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.861 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.522 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 43.1 p-90 -63.82 -36.91 85.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.096 -1.003 . . . . 0.0 110.556 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.693 HH21 HD13 ' A' ' 20' ' ' LEU . 3.1 ttp180 -67.58 -45.98 73.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.138 -0.976 . . . . 0.0 110.677 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 80.1 mt-30 -51.54 -45.66 63.07 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.063 -1.023 . . . . 0.0 109.811 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.23 -33.43 75.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.898 -1.126 . . . . 0.0 108.512 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -64.91 -52.22 57.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.501 -0.75 . . . . 0.0 109.431 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.58 -31.37 68.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.1 mtm180 -75.71 -42.46 50.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 110.641 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -63.2 -44.73 94.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.853 -1.155 . . . . 0.0 109.006 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.24 -15.64 60.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.902 . . . . 0.0 109.011 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.677 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -89.75 -22.69 22.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.578 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.836 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 29.4 p-10 . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 36.2 tp10 -79.39 -56.01 4.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.332 -0.855 . . . . 0.0 108.948 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.55 -39.14 93.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -59.38 -59.42 5.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.355 -0.841 . . . . 0.0 109.874 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.666 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -50.8 -36.65 38.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.972 -178.73 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.72 68.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.964 . . . . 0.0 111.284 -178.801 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 ptp -151.56 157.61 42.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.154 -1.203 . . . . 0.0 109.449 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -74.09 156.23 37.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.564 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -54.67 -28.51 47.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.923 . . . . 0.0 109.47 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -61.6 -48.97 78.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.183 -0.948 . . . . 0.0 108.912 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -42.64 67.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.355 -0.84 . . . . 0.0 108.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -58.53 -37.69 76.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.17 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -16.66 12.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.299 -0.876 . . . . 0.0 109.283 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.33 -36.02 74.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.697 HD22 ' NH2' ' A' ' 24' ' ' ARG . 61.7 mt -61.61 151.78 77.0 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.181 -0.949 . . . . 0.0 109.981 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -42.0 144.3 1.03 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.481 2.121 . . . . 0.0 112.136 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.58 -38.15 77.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.577 -0.702 . . . . 0.0 110.8 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.435 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 45.9 p-90 -79.53 -31.46 42.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.065 -1.022 . . . . 0.0 110.548 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.697 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.9 ttp180 -70.43 -48.34 56.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.083 -1.011 . . . . 0.0 110.643 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 7.1 pt20 -48.3 -39.91 23.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 0.0 109.816 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.41 ' HG3' HH21 ' A' ' 29' ' ' ARG . 96.4 mt-30 -67.0 -38.06 85.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.862 -1.149 . . . . 0.0 108.548 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -61.24 -51.43 68.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.457 -0.777 . . . . 0.0 109.483 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.39 -31.2 69.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.297 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.41 HH21 ' HG3' ' A' ' 26' ' ' GLN . 81.3 mtm180 -75.25 -46.37 34.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.041 -1.037 . . . . 0.0 110.576 -178.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -65.97 -33.62 76.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.799 -1.188 . . . . 0.0 108.98 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.3 -24.88 60.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.288 -0.883 . . . . 0.0 109.038 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -109.06 -10.3 15.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.473 -0.767 . . . . 0.0 110.532 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.515 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -66.52 -50.36 63.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.408 -0.808 . . . . 0.0 108.95 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -75.24 -49.7 18.49 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -53.29 -58.95 5.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.412 HH21 HG22 ' A' ' 13' ' ' THR . 41.9 ttm180 -50.56 -36.24 33.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.261 -0.899 . . . . 0.0 109.983 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.06 65.96 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.752 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.3 ptm -157.87 157.45 33.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.156 -1.203 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.412 HG22 HH21 ' A' ' 7' ' ' ARG . 22.6 p -72.8 154.02 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 109.561 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -54.15 -28.17 38.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.544 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 t -60.74 -46.57 89.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 108.964 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -43.0 63.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.389 -0.819 . . . . 0.0 109.034 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.45 -35.76 74.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.251 -0.906 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -17.22 23.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.229 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -59.3 -34.93 72.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.384 -0.823 . . . . 0.0 110.139 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.703 HD22 ' NH2' ' A' ' 24' ' ' ARG . 76.2 mt -63.82 151.67 88.52 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.118 -0.989 . . . . 0.0 109.923 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -42.22 141.41 2.03 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.458 2.105 . . . . 0.0 112.123 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.55 -37.66 70.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.568 -0.707 . . . . 0.0 110.84 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 47.7 p-90 -78.64 -30.96 46.68 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 110.482 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.703 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.7 ttp180 -69.8 -46.57 65.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.018 -1.051 . . . . 0.0 110.729 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.505 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.8 pt20 -48.82 -40.8 30.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.015 -1.053 . . . . 0.0 109.798 -179.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.4 -37.16 84.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.836 -1.165 . . . . 0.0 108.503 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.449 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 18.7 t-20 -62.27 -51.26 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.441 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -71.09 -31.18 67.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.37 -0.831 . . . . 0.0 110.29 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.1 mtm180 -79.45 -44.24 21.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.054 -1.029 . . . . 0.0 110.579 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -61.03 -42.01 97.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.023 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 2.3 mp0 -64.92 -14.38 59.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 109.056 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.585 ' CA ' ' HE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.3 -16.06 28.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 110.527 -178.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.481 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.9 p30 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.2 tt0 -69.5 -54.41 14.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.92 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -72.36 -44.15 62.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.402 -0.811 . . . . 0.0 109.191 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CE2' ' NE ' ' A' ' 14' ' ' ARG . 55.4 t80 -52.12 -60.56 3.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.792 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -49.53 -34.46 17.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.08 66.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 110.311 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.021 . . . . 0.0 111.245 -178.74 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.526 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -144.01 169.9 16.96 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 179.681 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 p -83.34 159.45 21.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.869 . . . . 0.0 109.585 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.759 HH12 HH11 ' A' ' 29' ' ' ARG . 24.6 mmt180 -53.81 -26.8 25.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.283 -0.886 . . . . 0.0 109.5 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -55.82 -48.15 75.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.123 -0.985 . . . . 0.0 108.947 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -49.27 18.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.0 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -56.65 -36.08 69.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.31 -0.868 . . . . 0.0 109.186 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -16.93 18.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.246 -0.909 . . . . 0.0 109.339 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -60.1 -33.94 72.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.731 HD13 HH21 ' A' ' 24' ' ' ARG . 80.1 mt -65.48 152.15 92.92 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.217 -0.927 . . . . 0.0 109.967 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -42.85 144.03 1.56 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.521 2.147 . . . . 0.0 112.084 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.27 -37.09 76.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.519 -0.738 . . . . 0.0 110.771 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 49.6 p-90 -78.84 -32.14 46.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.02 -1.05 . . . . 0.0 110.535 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.731 HH21 HD13 ' A' ' 20' ' ' LEU . 4.7 ttp180 -67.57 -45.88 74.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.12 -0.988 . . . . 0.0 110.696 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.564 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.2 pt20 -48.89 -42.79 37.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.962 -1.086 . . . . 0.0 109.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.428 ' CG ' HH21 ' A' ' 29' ' ' ARG . 81.5 mt-30 -63.61 -36.07 82.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.826 -1.171 . . . . 0.0 108.486 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.87 -52.2 61.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.536 -0.728 . . . . 0.0 109.425 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.11 -32.02 68.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.32 -0.863 . . . . 0.0 110.226 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.759 HH11 HH12 ' A' ' 14' ' ' ARG . 84.2 mtm180 -76.36 -41.94 46.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.04 -1.038 . . . . 0.0 110.559 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -66.91 -35.33 79.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.771 -1.206 . . . . 0.0 109.003 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.16 -25.6 47.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 109.109 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.661 ' CG ' HH11 ' A' ' 32' ' ' ARG . 4.8 mtt-85 -105.71 2.24 27.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.426 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.297 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 27.7 p-10 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 35.8 tp10 -70.24 -50.59 38.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.284 -0.885 . . . . 0.0 108.948 179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.14 -47.29 36.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 109.231 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -51.12 -58.36 6.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.271 -0.893 . . . . 0.0 109.791 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.08 -38.25 50.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.226 -0.922 . . . . 0.0 109.937 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.63 66.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.316 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.08 -1.013 . . . . 0.0 111.201 -178.603 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 tpp -143.58 157.71 44.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.238 -1.154 . . . . 0.0 109.442 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.3 p -77.68 152.43 33.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.599 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -53.49 -29.07 34.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 109.452 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -67.12 -45.62 76.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 -35.45 63.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.388 -0.82 . . . . 0.0 109.054 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -59.07 -34.77 72.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 109.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -9.24 5.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 0.0 109.23 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.74 -32.73 74.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.806 . . . . 0.0 110.228 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.507 HD22 HH21 ' A' ' 24' ' ' ARG . 6.4 mt -71.21 153.77 94.13 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.128 -0.982 . . . . 0.0 109.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -44.21 132.96 9.05 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.481 2.121 . . . . 0.0 112.135 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -50.56 -44.74 56.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.513 -0.742 . . . . 0.0 110.821 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.566 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.0 p-90 -70.38 -41.02 73.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.099 -1.001 . . . . 0.0 110.471 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.566 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 28.9 ttp180 -62.58 -41.59 99.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.125 -0.984 . . . . 0.0 110.662 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -49.16 -40.83 34.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.002 -1.061 . . . . 0.0 109.766 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.6 -38.22 90.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.865 -1.147 . . . . 0.0 108.505 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -60.54 -49.38 77.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.74 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -72.49 -31.74 65.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 0.0 110.302 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -82.56 -50.13 9.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.033 . . . . 0.0 110.579 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HG3' HH11 ' A' ' 30' ' ' ARG . 51.5 ttm-85 -59.68 -43.63 93.94 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.775 -1.203 . . . . 0.0 109.017 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.81 -20.85 62.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.317 -0.865 . . . . 0.0 109.092 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -81.56 -21.1 38.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.456 -0.777 . . . . 0.0 110.512 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.901 -1.279 . . . . 0.0 109.901 -179.861 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.447 ' CG ' ' H ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.215 -0.744 0 CA-C-O 121.257 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.447 ' H ' ' CG ' ' A' ' 1' ' ' LEU . 2.2 t -83.6 68.05 9.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.324 -0.86 . . . . 0.0 109.531 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -56.08 -31.16 62.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.227 -0.92 . . . . 0.0 108.941 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -71.92 -54.88 8.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 108.961 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.64 -42.75 70.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.357 -0.84 . . . . 0.0 109.206 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -52.61 -58.74 5.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.854 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.649 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.41 -36.41 32.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 0.0 109.991 -179.038 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -28.99 66.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.3 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.83 -49.85 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 0.0 111.284 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.509 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.98 19.36 65.39 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 ptp -151.51 155.35 38.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -1.155 . . . . 0.0 109.388 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 p -70.89 155.28 41.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.264 -0.897 . . . . 0.0 109.52 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -54.95 -28.44 51.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.236 -0.915 . . . . 0.0 109.561 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.9 p -62.82 -44.6 95.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.113 -0.992 . . . . 0.0 108.893 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.76 60.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.382 -0.824 . . . . 0.0 109.057 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -58.96 -38.6 79.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.164 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -16.57 18.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.315 -0.865 . . . . 0.0 109.223 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.03 -32.39 73.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.153 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.682 HD13 HH21 ' A' ' 24' ' ' ARG . 60.1 mt -68.58 151.77 97.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.171 -0.955 . . . . 0.0 109.974 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -44.26 136.43 8.2 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.393 2.062 . . . . 0.0 112.139 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.04 -46.83 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.545 -0.722 . . . . 0.0 110.891 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.524 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 37.8 p-90 -65.1 -36.29 83.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.016 -1.052 . . . . 0.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.682 HH21 HD13 ' A' ' 20' ' ' LEU . 3.1 ttp180 -67.38 -47.07 71.41 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.195 -0.941 . . . . 0.0 110.698 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.466 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 37.0 mt-30 -50.02 -44.44 51.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.007 -1.058 . . . . 0.0 109.798 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.02 -35.35 78.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 108.492 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -65.32 -51.7 58.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 109.508 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.72 -30.27 66.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 0.0 110.316 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.5 mtm180 -77.61 -46.47 22.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 110.554 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.36 -41.71 96.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.786 -1.196 . . . . 0.0 108.975 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.13 -18.99 62.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.151 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -90.49 -6.59 54.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.389 -0.819 . . . . 0.0 110.535 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.38 2.64 63.62 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.4 mt -109.97 160.7 16.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.175 -1.191 . . . . 0.0 109.589 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.527 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.786 0 CA-C-O 121.262 0.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.9 m -147.4 69.8 1.16 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.262 -0.899 . . . . 0.0 109.554 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.8 p30 -59.71 -34.01 72.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.283 -0.885 . . . . 0.0 108.861 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.1 tt0 -67.06 -48.74 67.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 108.891 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -75.52 -52.02 11.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 0.0 109.159 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 2' ' ' SER . 32.2 t80 -51.89 -59.27 4.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.4 HH21 HG22 ' A' ' 13' ' ' THR . 41.8 ttm180 -50.79 -36.42 36.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.293 -0.879 . . . . 0.0 110.009 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -28.01 65.87 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.279 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.63 -48.08 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.136 -0.978 . . . . 0.0 111.256 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.54 ' C ' ' SD ' ' A' ' 12' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.32 11.88 55.23 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.54 ' SD ' ' C ' ' A' ' 10' ' ' PF5 . 0.0 OUTLIER -144.33 164.43 30.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -1.163 . . . . 0.0 109.349 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.4 HG22 HH21 ' A' ' 7' ' ' ARG . 11.6 p -76.43 156.68 32.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -54.9 -27.74 45.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 0.0 109.501 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -56.13 -45.71 79.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 108.891 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.28 35.58 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.819 . . . . 0.0 109.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -56.8 -35.47 68.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 109.187 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -17.79 10.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.4 -36.22 73.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.297 -0.877 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.71 HD13 HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.41 151.77 90.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.21 -0.931 . . . . 0.0 109.964 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -42.14 142.13 1.73 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.454 2.103 . . . . 0.0 112.064 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.29 -38.32 73.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.731 . . . . 0.0 110.787 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.411 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 44.7 p-90 -78.7 -29.82 45.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 110.522 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.71 HH21 HD13 ' A' ' 20' ' ' LEU . 4.8 ttp180 -70.88 -46.99 61.62 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.087 -1.008 . . . . 0.0 110.685 -178.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.528 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.9 pt20 -48.97 -42.56 38.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.948 -1.095 . . . . 0.0 109.863 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.43 ' CG ' HH21 ' A' ' 29' ' ' ARG . 94.4 mt-30 -64.98 -35.25 80.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.838 -1.164 . . . . 0.0 108.493 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -64.48 -52.88 55.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.49 -0.756 . . . . 0.0 109.467 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.2 mt -69.4 -32.09 70.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.528 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 83.5 mtm180 -76.48 -41.53 46.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.542 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.99 -34.55 76.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.798 -1.189 . . . . 0.0 109.039 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.22 -22.14 64.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.096 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -105.38 -0.37 26.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.803 . . . . 0.0 110.493 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.6 58.38 4.97 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 65.3 mt -133.02 -24.51 1.89 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.163 -1.198 . . . . 0.0 109.671 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 74.5 m-85 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.191 -0.943 . . . . 0.0 109.556 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 C--O 1.215 -0.718 0 CA-C-O 121.214 0.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -61.92 73.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.904 . . . . 0.0 109.545 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 1' ' ' LEU . 82.6 m-20 -61.39 -33.37 73.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.155 -0.965 . . . . 0.0 108.87 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -69.13 -52.13 31.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 108.981 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -69.14 -40.86 78.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.396 -0.815 . . . . 0.0 109.128 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -52.65 -59.19 4.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.888 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -50.59 -36.02 32.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.938 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.37 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 0.0 110.327 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.1 t -73.75 -50.82 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.146 -0.971 . . . . 0.0 111.288 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.503 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.94 15.98 71.21 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 ptp -150.35 155.46 39.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.237 -1.155 . . . . 0.0 109.392 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -72.32 156.81 38.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.299 -0.876 . . . . 0.0 109.589 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.538 HH12 HD22 ' A' ' 1' ' ' LEU . 54.8 mtp180 -54.51 -28.42 45.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -62.25 -46.55 88.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.962 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 19' ' ' ASN . . . -74.93 -44.72 46.97 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.009 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.421 ' C ' ' H ' ' A' ' 19' ' ' ASN . 52.0 t80 -56.53 -33.21 65.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.35 -0.844 . . . . 0.0 109.094 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.49 -5.44 1.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.25 -0.906 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 17' ' ' PHE . 18.3 p-10 -67.83 -30.88 70.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 110.179 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.666 HD13 HH21 ' A' ' 24' ' ' ARG . 16.4 mt -66.46 151.51 96.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.184 -0.947 . . . . 0.0 109.949 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -42.38 143.93 1.33 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.473 2.115 . . . . 0.0 112.082 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.32 -38.89 71.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.501 -0.749 . . . . 0.0 110.838 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.6 p-90 -79.79 -30.57 40.62 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.105 -0.997 . . . . 0.0 110.537 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.666 HH21 HD13 ' A' ' 20' ' ' LEU . 6.0 ttp180 -70.95 -47.39 59.25 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.111 -0.993 . . . . 0.0 110.672 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -48.4 -39.58 22.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.818 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.96 -36.66 82.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.873 -1.142 . . . . 0.0 108.51 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -62.25 -52.29 64.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.492 -0.755 . . . . 0.0 109.469 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.94 -31.91 71.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.298 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -79.1 -44.25 22.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.986 -1.071 . . . . 0.0 110.519 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.842 -1.162 . . . . 0.0 108.976 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.15 -17.39 63.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.029 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.38 -23.41 32.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 0.0 110.548 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.31 -0.45 68.57 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' O ' ' CG ' ' A' ' 35' ' ' PHE . 19.1 mt -93.9 -75.96 0.49 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.108 -1.231 . . . . 0.0 109.647 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 47.5 p90 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 109.508 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.431 ' CB ' HH22 ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.215 -0.752 0 CA-C-O 121.293 0.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.678 ' H ' ' NH2' ' A' ' 14' ' ' ARG . 30.7 p -143.81 71.51 1.33 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.255 -0.903 . . . . 0.0 109.577 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 33.9 p-10 -59.55 -32.25 70.16 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.23 -0.919 . . . . 0.0 108.953 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 6.5 tp10 -67.85 -50.28 57.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.459 -0.776 . . . . 0.0 108.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -74.59 -47.41 32.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.336 -0.852 . . . . 0.0 109.222 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -52.52 -59.78 4.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 109.817 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.71 -36.63 37.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 -178.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.77 -27.94 66.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.497 ' CG1' HH11 ' A' ' 32' ' ' ARG . 70.7 t -70.68 -47.76 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.137 -0.977 . . . . 0.0 111.244 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.521 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 89.67 13.08 61.67 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.1 ptp -146.06 163.27 35.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.173 -1.192 . . . . 0.0 109.391 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -76.8 158.33 30.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 109.579 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.678 ' NH2' ' H ' ' A' ' 2' ' ' SER . 95.5 mtt180 -54.41 -27.2 35.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.47 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -56.02 -47.1 78.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 108.957 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -45.82 42.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.394 -0.816 . . . . 0.0 108.993 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -57.4 -37.49 72.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.184 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.64 -12.44 1.82 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.241 -0.912 . . . . 0.0 109.27 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.87 -30.03 71.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.345 -0.847 . . . . 0.0 110.217 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.679 HD13 HH21 ' A' ' 24' ' ' ARG . 38.9 mt -72.4 152.49 92.03 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.18 -0.95 . . . . 0.0 109.996 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -44.28 134.73 8.91 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.536 2.158 . . . . 0.0 112.139 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.44 -45.89 56.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.586 -0.696 . . . . 0.0 110.842 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.57 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.6 p-90 -69.49 -41.09 76.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.056 -1.028 . . . . 0.0 110.517 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.679 HH21 HD13 ' A' ' 20' ' ' LEU . 4.3 ttp180 -60.94 -41.66 96.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.082 -1.011 . . . . 0.0 110.726 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.537 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 79.5 mt-30 -50.8 -42.36 58.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.983 -1.073 . . . . 0.0 109.868 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' OE1' ' NH2' ' A' ' 29' ' ' ARG . 15.6 mm100 -63.05 -38.42 91.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.856 -1.152 . . . . 0.0 108.509 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.21 -50.68 72.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.441 -0.787 . . . . 0.0 109.387 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -73.57 -31.71 63.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 110.242 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 86.2 mtm180 -79.15 -46.56 17.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.078 -1.014 . . . . 0.0 110.602 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.66 -35.51 80.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.725 -1.235 . . . . 0.0 109.002 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.19 -24.45 63.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 0.0 109.014 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.497 HH11 ' CG1' ' A' ' 9' ' ' VAL . 95.5 mtt180 -107.44 8.18 29.37 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 110.521 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.39 26.41 57.24 Favored Glycine 0 N--CA 1.493 2.477 0 C-N-CA 119.656 -1.259 . . . . 0.0 109.963 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.3 mt -123.56 155.72 37.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.133 -1.216 . . . . 0.0 109.692 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.489 1.476 0 O-C-N 121.192 -0.943 . . . . 0.0 109.471 -179.535 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.769 0 CA-C-O 121.326 0.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.2 m -81.5 66.86 7.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.197 -0.939 . . . . 0.0 109.487 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -56.3 -32.49 64.65 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.281 -0.887 . . . . 0.0 108.964 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.32 -53.46 29.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.324 -0.86 . . . . 0.0 108.948 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.59 -47.7 30.9 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.309 -0.87 . . . . 0.0 109.226 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 2' ' ' SER . 31.4 t80 -52.05 -59.75 3.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.312 -0.867 . . . . 0.0 109.813 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.653 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.74 -36.38 36.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 110.018 -178.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.08 68.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.254 -0.904 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.4 t -70.58 -46.26 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.046 -1.034 . . . . 0.0 111.272 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.543 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 89.13 15.7 58.68 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.8 ptp -145.24 162.35 37.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.18 -1.188 . . . . 0.0 109.476 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -75.16 154.99 37.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.637 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.42 ' NH2' ' CZ ' ' A' ' 35' ' ' PHE . 59.0 mtp180 -54.75 -28.06 45.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.226 -0.921 . . . . 0.0 109.477 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 m -57.78 -44.18 86.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 108.989 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -45.99 39.98 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 109.125 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -58.65 -36.64 74.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.862 . . . . 0.0 109.174 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -17.46 13.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.298 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -60.82 -33.55 73.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 110.191 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.723 HD13 HH21 ' A' ' 24' ' ' ARG . 76.3 mt -66.22 151.56 95.51 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.112 -0.993 . . . . 0.0 110.0 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -44.27 140.32 5.77 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.493 2.129 . . . . 0.0 112.098 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.06 -39.16 74.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.567 -0.708 . . . . 0.0 110.821 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 36.2 p-90 -73.93 -29.06 61.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.999 -1.063 . . . . 0.0 110.481 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.723 HH21 HD13 ' A' ' 20' ' ' LEU . 4.4 ttp180 -73.89 -49.07 26.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.146 -0.971 . . . . 0.0 110.668 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.559 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.5 pt20 -48.64 -44.21 37.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.954 -1.091 . . . . 0.0 109.842 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' HH21 ' A' ' 29' ' ' ARG . 91.6 mt-30 -62.51 -35.62 79.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.938 -1.101 . . . . 0.0 108.551 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -65.5 -51.94 56.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.522 -0.736 . . . . 0.0 109.46 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.71 -32.06 69.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.461 -0.774 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.9 mtm180 -74.35 -44.72 51.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.03 -1.043 . . . . 0.0 110.61 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -68.92 -32.28 71.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.788 -1.195 . . . . 0.0 109.021 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.22 -24.03 64.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 0.0 108.979 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.531 HH11 ' HG2' ' A' ' 32' ' ' ARG . 67.8 mtt-85 -106.1 4.69 29.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.408 -0.808 . . . . 0.0 110.523 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.2 31.37 20.0 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 mt -125.82 140.2 52.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.096 -1.238 . . . . 0.0 109.675 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.42 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 71.0 m-85 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.183 -0.948 . . . . 0.0 109.548 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.257 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 2' ' ' SER . 9.0 p -68.53 56.61 0.08 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.3 -0.875 . . . . 0.0 109.521 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' LEU . 84.5 m-20 -56.14 -33.3 65.06 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.157 -0.964 . . . . 0.0 108.857 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.56 -52.67 35.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 0.0 108.955 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.17 -43.64 81.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.408 -0.808 . . . . 0.0 109.25 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -53.89 -59.95 3.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 0.0 109.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.654 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -49.53 -34.54 17.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 0.0 110.014 -178.633 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.59 -27.45 65.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.198 -0.939 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.54 HG13 ' NH1' ' A' ' 32' ' ' ARG . 70.4 t -80.47 -49.72 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.236 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.493 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.57 20.37 79.57 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.0 ttp -149.78 161.7 41.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.175 -1.191 . . . . 0.0 109.38 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -78.79 151.49 31.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 0.0 109.606 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -60.2 -28.71 68.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.46 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p -58.62 -51.64 69.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -0.952 . . . . 0.0 108.912 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.73 -31.35 64.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -56.59 -33.69 66.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 109.186 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.99 -14.59 55.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.277 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.8 -34.23 77.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.393 -0.817 . . . . 0.0 110.191 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.69 HD13 HH21 ' A' ' 24' ' ' ARG . 43.5 mt -66.82 151.76 96.41 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.163 -0.961 . . . . 0.0 109.992 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -43.04 135.07 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.505 2.137 . . . . 0.0 112.088 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -51.29 -44.41 61.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.502 -0.749 . . . . 0.0 110.845 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.4 p-90 -69.46 -39.5 77.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.061 -1.025 . . . . 0.0 110.511 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.69 HH21 HD13 ' A' ' 20' ' ' LEU . 3.4 ttp180 -62.93 -43.78 97.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.072 -1.017 . . . . 0.0 110.767 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -50.7 -42.1 56.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.926 -1.109 . . . . 0.0 109.796 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ARG . 96.1 mt-30 -66.14 -36.96 84.51 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.83 -1.169 . . . . 0.0 108.499 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.79 -52.22 66.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.511 -0.743 . . . . 0.0 109.474 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.77 -32.57 71.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 0.0 110.275 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -83.42 -45.76 13.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.065 -1.022 . . . . 0.0 110.643 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' GLN . 40.0 ttm180 -60.35 -43.99 95.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.846 -1.159 . . . . 0.0 109.004 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.23 -14.77 57.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 0.0 109.096 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.668 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.08 -12.0 36.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 110.521 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.47 -0.25 70.87 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.1 mt -106.25 162.54 13.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.148 -1.207 . . . . 0.0 109.608 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.232 -0.918 . . . . 0.0 109.562 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.725 0 CA-C-O 121.287 0.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.466 ' O ' ' OG ' ' A' ' 2' ' ' SER . 12.2 p -71.04 63.57 0.32 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.243 -0.911 . . . . 0.0 109.533 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -55.53 -32.91 63.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 108.872 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -69.44 -55.29 10.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 108.906 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.87 -43.13 75.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.288 -0.883 . . . . 0.0 109.207 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.631 ' CD2' ' NH1' ' A' ' 14' ' ' ARG . 51.8 t80 -51.38 -59.1 4.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.85 . . . . 0.0 109.835 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -50.0 -36.25 27.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.865 . . . . 0.0 109.984 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.3 66.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 0.0 110.262 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -72.96 -49.71 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.111 -0.993 . . . . 0.0 111.25 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.496 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.81 18.16 75.8 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.9 ptp -151.04 155.7 39.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -1.132 . . . . 0.0 109.453 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 p -73.42 157.8 36.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 109.568 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.631 ' NH1' ' CD2' ' A' ' 6' ' ' PHE . 82.4 mtt-85 -54.62 -28.4 46.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.19 -0.944 . . . . 0.0 109.475 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 m -62.33 -47.16 85.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -0.998 . . . . 0.0 108.968 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.1 57.51 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.023 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -59.07 -38.48 79.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.867 . . . . 0.0 109.189 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.62 -15.46 11.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.315 -0.865 . . . . 0.0 109.222 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.06 -33.74 74.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.739 HD13 HH21 ' A' ' 24' ' ' ARG . 61.9 mt -65.78 152.34 93.24 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 109.973 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -43.12 134.33 5.95 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.458 2.106 . . . . 0.0 112.128 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.42 -45.11 55.54 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.606 -0.683 . . . . 0.0 110.799 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.554 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.8 p-90 -69.55 -40.24 76.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.018 -1.052 . . . . 0.0 110.484 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.739 HH21 HD13 ' A' ' 20' ' ' LEU . 3.6 ttp180 -61.69 -43.27 99.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.2 -0.937 . . . . 0.0 110.66 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 77.6 mt-30 -50.83 -42.2 58.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 109.928 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.47 -36.61 84.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.909 -1.119 . . . . 0.0 108.543 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -62.97 -51.55 66.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.473 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.6 mt -71.3 -29.83 65.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.292 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -79.3 -46.87 16.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.997 -1.064 . . . . 0.0 110.516 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -63.22 -40.99 99.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.787 -1.196 . . . . 0.0 108.981 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -62.66 -18.66 62.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.057 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 1.4 tpm_? -95.84 -6.99 38.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.508 -0.745 . . . . 0.0 110.628 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.43 -2.21 80.43 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.1 mt -105.77 135.72 46.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.095 -1.238 . . . . 0.0 109.608 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.516 -179.641 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.706 0 CA-C-O 121.262 0.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p 45.62 58.42 4.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.503 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -55.75 -35.24 65.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.152 -0.967 . . . . 0.0 108.913 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -67.05 -49.32 65.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.933 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.71 -42.52 86.22 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.34 -0.85 . . . . 0.0 109.21 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -56.48 -59.66 4.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.794 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.06 -35.29 24.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.996 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.41 65.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.912 . . . . 0.0 110.305 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.86 -49.2 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.036 -1.04 . . . . 0.0 111.216 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.473 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.56 14.92 60.81 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 ptp -151.08 156.93 42.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -1.151 . . . . 0.0 109.452 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 p -70.92 154.87 41.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.577 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -54.77 -28.39 48.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -0.894 . . . . 0.0 109.447 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.5 p -62.98 -46.89 85.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.0 108.919 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.78 -42.73 60.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.006 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.02 -38.94 80.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.182 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -16.5 10.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.275 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -62.67 -33.31 74.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.874 . . . . 0.0 110.198 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.701 HD13 HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.38 152.62 88.43 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.174 -0.954 . . . . 0.0 110.02 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.66 135.21 9.78 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.443 2.096 . . . . 0.0 112.127 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.66 -47.43 67.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.61 -0.681 . . . . 0.0 110.832 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 39.5 p-90 -64.37 -36.39 83.99 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.03 -1.044 . . . . 0.0 110.495 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.701 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -67.91 -46.37 71.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.084 -1.01 . . . . 0.0 110.683 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 78.3 mt-30 -49.88 -45.77 50.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.997 -1.065 . . . . 0.0 109.817 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.76 -37.72 85.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.856 -1.152 . . . . 0.0 108.501 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -62.21 -50.73 70.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.441 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.4 mt -73.4 -31.66 64.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.298 -0.876 . . . . 0.0 110.31 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -80.1 -48.02 13.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.953 -1.092 . . . . 0.0 110.621 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.14 -43.9 92.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.789 -1.195 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.71 -19.05 63.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.256 -0.903 . . . . 0.0 109.082 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -88.84 -20.97 23.96 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.461 -0.774 . . . . 0.0 110.492 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.27 -2.23 74.43 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.599 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 16.2 mt -98.41 -17.56 18.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.129 -1.218 . . . . 0.0 109.626 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 1.2 p90 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.238 -0.914 . . . . 0.0 109.531 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 C--O 1.215 -0.721 0 CA-C-O 121.256 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 3.6 t -62.56 74.35 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.212 -0.93 . . . . 0.0 109.523 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 1' ' ' LEU . 3.6 p30 -59.48 -30.99 68.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.215 -0.928 . . . . 0.0 108.917 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.56 -54.01 10.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 0.0 108.935 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -71.38 -41.84 69.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.85 . . . . 0.0 109.168 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' CB ' ' O ' ' A' ' 2' ' ' SER . 58.1 t80 -52.75 -59.06 4.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.389 -0.82 . . . . 0.0 109.858 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 13' ' ' THR . 42.7 ttm180 -50.35 -36.34 31.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 109.926 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.79 -27.85 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 110.337 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -75.04 -50.57 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.071 -1.018 . . . . 0.0 111.276 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.54 ' C ' ' SD ' ' A' ' 12' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.66 8.77 58.11 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.54 ' SD ' ' C ' ' A' ' 10' ' ' PF5 . 0.0 OUTLIER -142.47 166.8 23.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -1.123 . . . . 0.0 109.375 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.422 HG22 HH21 ' A' ' 7' ' ' ARG . 31.7 p -82.55 155.65 24.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -53.35 -28.64 29.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 109.487 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -65.59 -47.21 76.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 108.958 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.35 -44.43 45.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 0.0 109.007 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -56.95 -38.06 72.43 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.28 22.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.266 -0.896 . . . . 0.0 109.244 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -61.96 -30.68 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.315 -0.865 . . . . 0.0 110.143 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.737 HD13 HH21 ' A' ' 24' ' ' ARG . 71.1 mt -66.51 151.85 95.65 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.217 -0.927 . . . . 0.0 109.965 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -42.92 136.73 4.7 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.445 2.097 . . . . 0.0 112.062 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -52.55 -43.03 64.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.556 -0.715 . . . . 0.0 110.837 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.543 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.3 p-90 -71.86 -39.37 69.73 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.122 -0.986 . . . . 0.0 110.472 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.737 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.91 -43.74 98.21 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.149 -0.969 . . . . 0.0 110.698 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -49.98 -42.37 48.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.028 -1.045 . . . . 0.0 109.868 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.474 ' OE1' ' NH2' ' A' ' 29' ' ' ARG . 24.7 mm100 -62.79 -39.02 92.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.926 -1.109 . . . . 0.0 108.437 178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -60.77 -49.92 75.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.484 -0.76 . . . . 0.0 109.469 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 mt -73.44 -31.61 63.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 110.303 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.474 ' NH2' ' OE1' ' A' ' 26' ' ' GLN . 83.1 mtm180 -82.5 -46.85 12.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.098 -1.001 . . . . 0.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.05 -43.58 95.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.909 -1.119 . . . . 0.0 109.035 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.72 -14.25 57.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -0.872 . . . . 0.0 109.048 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.97 -11.27 36.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.497 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.32 2.75 70.29 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.8 mt -108.78 161.62 14.94 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.097 -1.237 . . . . 0.0 109.588 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.226 -0.921 . . . . 0.0 109.538 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.781 0 CA-C-O 121.302 0.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.463 ' O ' ' OG ' ' A' ' 2' ' ' SER . 17.7 p 46.03 64.43 1.48 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.255 -0.903 . . . . 0.0 109.439 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -55.57 -33.71 64.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.19 -0.944 . . . . 0.0 108.892 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -70.38 -51.92 26.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.56 -44.88 69.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.416 -0.803 . . . . 0.0 109.203 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.74 -59.31 5.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 0.0 109.795 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -50.07 -36.02 27.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.75 67.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.941 . . . . 0.0 110.305 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.53 -49.74 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 111.214 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.535 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.94 21.14 22.65 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.9 ttm -143.33 158.81 43.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -1.172 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -77.54 150.9 34.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.512 ' HG3' HH11 ' A' ' 14' ' ' ARG . 45.0 mtm-85 -57.15 -29.98 64.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 109.426 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -68.46 -47.07 68.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 108.966 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.14 63.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.337 -0.852 . . . . 0.0 109.089 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.23 -39.58 79.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.298 -0.876 . . . . 0.0 109.208 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -17.33 25.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.203 -0.936 . . . . 0.0 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -62.55 -35.88 80.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.366 -0.833 . . . . 0.0 110.224 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.721 HD22 ' NH2' ' A' ' 24' ' ' ARG . 82.5 mt -55.78 152.04 20.95 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.153 -0.967 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -42.75 142.32 2.12 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.475 2.116 . . . . 0.0 112.101 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 tp -57.3 -37.46 72.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.496 -0.753 . . . . 0.0 110.813 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.456 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.5 p-90 -79.09 -32.87 44.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.039 -1.038 . . . . 0.0 110.517 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.721 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.7 ttp180 -68.7 -49.55 58.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 110.7 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.467 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 7.0 pt20 -48.37 -40.54 25.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.98 -1.075 . . . . 0.0 109.817 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' CG ' HH21 ' A' ' 29' ' ' ARG . 92.0 mt-30 -65.99 -35.44 80.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 108.507 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.4 -52.65 57.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.486 -0.759 . . . . 0.0 109.468 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.7 mt -69.04 -32.09 71.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 110.299 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 82.4 mtm180 -75.39 -45.59 38.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.002 . . . . 0.0 110.618 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -68.73 -33.9 74.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.785 -1.197 . . . . 0.0 109.0 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -52.6 -26.75 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.195 -0.941 . . . . 0.0 109.051 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.696 HH11 ' HG2' ' A' ' 32' ' ' ARG . 13.6 mtt-85 -107.8 -2.25 20.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.501 -0.749 . . . . 0.0 110.525 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.9 -4.39 57.68 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.4 mt -98.96 129.53 45.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.136 -1.214 . . . . 0.0 109.604 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.178 -0.951 . . . . 0.0 109.549 -179.546 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.4 ' O ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.214 -0.766 0 CA-C-O 121.278 0.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.577 ' O ' ' N ' ' A' ' 6' ' ' PHE . 2.9 p 46.45 34.15 2.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.266 -0.896 . . . . 0.0 109.486 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -55.05 -32.28 61.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 108.908 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -77.96 -57.16 3.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 0.0 108.955 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.65 -39.05 93.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.379 -0.826 . . . . 0.0 109.229 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 2' ' ' SER . 58.2 t80 -56.94 -59.46 5.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.849 . . . . 0.0 109.838 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -49.81 -34.81 20.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.977 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -28.68 64.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.215 -0.928 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t -76.51 -49.48 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.102 -0.999 . . . . 0.0 111.19 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.469 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.91 29.76 64.53 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.1 ptm -163.51 155.39 17.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -1.157 . . . . 0.0 109.445 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -70.9 153.58 42.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 109.585 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.487 ' HG3' HH11 ' A' ' 14' ' ' ARG . 49.5 mtm-85 -55.23 -28.84 56.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 109.447 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -63.15 -44.36 95.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.222 -0.923 . . . . 0.0 108.878 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.39 -39.29 62.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.404 -0.81 . . . . 0.0 109.068 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.51 -35.35 75.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 109.154 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -15.54 25.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.262 -0.899 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.38 -32.63 72.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 110.217 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HH21 ' A' ' 24' ' ' ARG . 78.2 mt -67.72 152.44 96.31 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.92 . . . . 0.0 109.932 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -43.59 133.22 7.42 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.473 2.115 . . . . 0.0 112.16 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.1 tt -48.17 -53.24 17.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.515 -0.74 . . . . 0.0 110.834 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.3 p-90 -61.74 -41.73 98.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.497 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.735 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -60.93 -44.21 97.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.191 -0.943 . . . . 0.0 110.662 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 77.2 mt-30 -50.7 -42.33 56.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.891 -1.131 . . . . 0.0 109.816 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.478 ' OE1' ' NH2' ' A' ' 29' ' ' ARG . 19.2 mm100 -65.66 -36.23 83.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.845 -1.159 . . . . 0.0 108.492 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -62.28 -52.53 63.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.564 -0.71 . . . . 0.0 109.453 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -70.35 -31.4 68.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.573 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.7 mtm180 -79.45 -41.29 27.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.048 -1.033 . . . . 0.0 110.519 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -62.83 -45.04 94.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.778 -1.201 . . . . 0.0 109.01 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.1 -17.34 62.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.074 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -86.11 -23.0 26.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.431 -0.793 . . . . 0.0 110.503 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.35 4.99 67.78 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 mt -103.83 162.92 12.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.116 -1.226 . . . . 0.0 109.606 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.196 -0.94 . . . . 0.0 109.49 179.878 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.216 -0.681 0 CA-C-O 121.287 0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' LEU . 3.4 t 44.71 68.96 0.48 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.219 -0.926 . . . . 0.0 109.488 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -56.06 -31.68 63.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 0.0 108.851 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -71.8 -53.01 14.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 108.94 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -69.54 -42.75 74.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.409 -0.807 . . . . 0.0 109.25 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.98 -58.8 5.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.354 -0.841 . . . . 0.0 109.839 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.666 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.24 -36.72 32.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 -178.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.1 67.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 110.325 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -72.02 -49.93 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.099 -1.0 . . . . 0.0 111.24 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.516 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 78.54 25.28 61.18 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ptm -158.23 153.82 26.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.233 -1.157 . . . . 0.0 109.431 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.96 155.47 40.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 0.0 109.616 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -54.33 -28.63 43.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.529 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m -61.26 -45.35 94.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 108.901 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' OD1' ' A' ' 19' ' ' ASN . . . -73.99 -44.06 55.96 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.982 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' C ' ' H ' ' A' ' 19' ' ' ASN . 43.8 t80 -56.9 -33.22 66.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.192 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.13 -1.75 1.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 16' ' ' ALA . 26.3 p-10 -73.35 -24.59 60.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.379 -0.826 . . . . 0.0 110.218 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HH21 ' A' ' 24' ' ' ARG . 11.1 mt -76.73 153.73 83.29 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.17 -0.957 . . . . 0.0 109.966 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.41 137.19 8.23 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.463 2.109 . . . . 0.0 112.109 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.8 tp -51.98 -44.41 64.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.532 -0.73 . . . . 0.0 110.845 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.535 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.5 p-90 -71.62 -38.76 70.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 110.455 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.735 HH21 HD13 ' A' ' 20' ' ' LEU . 6.4 ttp180 -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.175 -0.953 . . . . 0.0 110.707 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -50.07 -41.46 47.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.033 -1.042 . . . . 0.0 109.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.65 -37.37 87.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.834 -1.166 . . . . 0.0 108.479 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.42 -52.1 64.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.442 -0.786 . . . . 0.0 109.453 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.21 -30.45 67.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.324 -0.86 . . . . 0.0 110.325 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -80.1 -42.88 22.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.045 -1.035 . . . . 0.0 110.525 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.4 -42.27 92.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.759 -1.213 . . . . 0.0 108.963 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.6 -16.0 59.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 109.107 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 32' ' ' ARG . 1.5 tpm_? -97.0 -6.81 34.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.417 -0.802 . . . . 0.0 110.551 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.53 -2.5 77.62 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.6 mt -106.22 136.31 46.15 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.073 -1.251 . . . . 0.0 109.626 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.25 -0.906 . . . . 0.0 109.528 -179.69 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.223 0.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -65.54 67.85 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 109.504 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 34.3 p-10 -59.75 -32.39 70.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.207 -0.933 . . . . 0.0 108.861 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.5 tt0 -69.86 -52.4 25.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.001 179.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -72.45 -44.04 62.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.174 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.08 -59.06 5.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.844 . . . . 0.0 109.85 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.04 -34.8 22.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.53 -29.92 66.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.15 -0.969 . . . . 0.0 110.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.455 HG12 HH11 ' A' ' 32' ' ' ARG . 73.1 t -75.85 -51.12 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.157 -0.965 . . . . 0.0 111.277 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.518 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.41 17.43 1.9 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.461 ' N ' ' C ' ' A' ' 10' ' ' PF5 . 2.4 tpp -141.16 160.61 39.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.216 -1.167 . . . . 0.0 109.384 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 p -83.81 154.86 23.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.599 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -53.41 -28.82 31.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.425 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 t -66.55 -46.73 75.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 108.982 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.5 -43.99 46.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.377 -0.827 . . . . 0.0 109.012 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -56.85 -34.69 68.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.9 . . . . 0.0 109.19 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -14.2 39.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.341 -0.85 . . . . 0.0 109.263 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -61.93 -33.27 73.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.366 -0.834 . . . . 0.0 110.173 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.741 HD13 HH21 ' A' ' 24' ' ' ARG . 81.4 mt -65.63 152.49 92.6 Favored Pre-proline 0 N--CA 1.496 1.865 0 O-C-N 121.174 -0.954 . . . . 0.0 110.024 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -43.06 135.0 5.68 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.429 2.086 . . . . 0.0 112.175 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -50.52 -44.73 56.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.585 -0.697 . . . . 0.0 110.819 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 53.4 p-90 -69.88 -40.58 75.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.741 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.111 -0.993 . . . . 0.0 110.645 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 78.6 mt-30 -50.62 -41.85 55.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.097 -1.002 . . . . 0.0 109.822 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HG3' HH21 ' A' ' 29' ' ' ARG . 95.1 mt-30 -66.42 -36.33 82.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.121 . . . . 0.0 108.479 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.77 -52.24 65.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.501 -0.749 . . . . 0.0 109.433 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -69.14 -31.26 69.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 110.286 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.479 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 86.8 mtm180 -75.82 -38.49 58.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.589 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -70.17 -36.71 74.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.764 -1.21 . . . . 0.0 109.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -56.22 -23.38 35.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 109.082 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.455 HH11 HG12 ' A' ' 9' ' ' VAL . 97.2 mtt180 -111.01 -3.63 15.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.477 -0.764 . . . . 0.0 110.5 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.87 66.19 2.97 Favored Glycine 0 N--CA 1.493 2.442 0 C-N-CA 119.672 -1.252 . . . . 0.0 109.983 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 30.3 mt -132.39 -3.03 3.43 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.134 -1.215 . . . . 0.0 109.647 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 34' ' ' LEU . 95.5 m-85 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.303 -0.873 . . . . 0.0 109.493 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.452 ' CD1' HH12 ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.215 -0.757 0 CA-C-O 121.266 0.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 2' ' ' SER . 8.5 p -69.75 55.67 0.13 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.265 -0.897 . . . . 0.0 109.501 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' LEU . 85.6 m-20 -55.04 -32.99 62.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.0 108.926 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -67.93 -52.72 32.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 108.888 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -66.77 -42.17 86.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.84 . . . . 0.0 109.186 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.2 -60.07 3.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 0.0 109.833 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -49.32 -34.32 15.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.945 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -27.63 65.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.0 t -80.19 -48.86 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.044 -1.035 . . . . 0.0 111.194 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.502 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.2 23.2 74.69 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 16' ' ' ALA . 44.7 ttp -153.95 159.1 41.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -1.162 . . . . 0.0 109.364 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -76.1 152.19 36.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.887 . . . . 0.0 109.608 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.452 HH12 ' CD1' ' A' ' 1' ' ' LEU . 74.0 mtm180 -60.32 -28.35 68.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 109.484 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.0 p -58.38 -50.59 73.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.974 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB3' ' SD ' ' A' ' 12' ' ' MET . . . -74.12 -30.01 62.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.386 -0.821 . . . . 0.0 109.043 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -57.65 -36.52 71.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.228 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.35 -14.75 29.72 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.301 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -63.88 -33.14 75.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.236 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.698 HD13 HH21 ' A' ' 24' ' ' ARG . 48.6 mt -68.28 152.05 96.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.138 -0.976 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -43.58 133.7 7.28 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.48 2.12 . . . . 0.0 112.095 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.3 tt -48.1 -54.28 13.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.563 -0.711 . . . . 0.0 110.795 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 54.0 p-90 -60.91 -42.16 97.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.017 -1.052 . . . . 0.0 110.498 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.698 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -60.86 -43.43 98.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.085 -1.01 . . . . 0.0 110.668 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.52 -42.2 54.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.956 -1.09 . . . . 0.0 109.804 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ARG . 93.0 mt-30 -66.95 -37.14 83.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.907 -1.121 . . . . 0.0 108.509 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.05 -52.02 67.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.499 -0.751 . . . . 0.0 109.434 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -31.86 68.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.313 -0.867 . . . . 0.0 110.28 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -83.39 -48.06 10.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.056 -1.028 . . . . 0.0 110.564 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.462 ' HG3' HH11 ' A' ' 30' ' ' ARG . 50.9 ttm-85 -59.29 -44.1 92.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.826 -1.171 . . . . 0.0 108.997 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 31' ' ' GLU . 13.4 tm-20 -60.04 -22.17 62.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.046 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -80.68 -21.76 41.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.399 -0.813 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.74 -4.69 66.25 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.537 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 68.4 mt -88.59 -5.55 58.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.095 -1.238 . . . . 0.0 109.635 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 60.3 m-85 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.192 -0.943 . . . . 0.0 109.513 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.418 HD23 HH12 ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.77 0 CA-C-O 121.209 0.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 6' ' ' PHE . 13.1 m 46.68 31.88 1.54 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.311 -0.868 . . . . 0.0 109.516 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -56.11 -31.74 63.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.214 -0.929 . . . . 0.0 108.924 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -76.76 -56.77 4.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.31 -0.869 . . . . 0.0 108.956 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -64.51 -39.2 93.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 2' ' ' SER . 37.9 t80 -57.65 -60.11 4.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.321 -0.862 . . . . 0.0 109.884 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.665 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.37 -36.17 31.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 110.037 -178.81 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.82 70.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.5 t -72.08 -47.34 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.036 -1.04 . . . . 0.0 111.225 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.562 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 85.18 18.73 60.28 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -148.4 158.66 44.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.214 -1.168 . . . . 0.0 109.418 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -73.38 154.54 40.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.608 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.418 HH12 HD23 ' A' ' 1' ' ' LEU . 52.4 mtp180 -54.43 -28.5 44.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.511 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.7 m -60.79 -44.84 96.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 108.909 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.31 58.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -58.57 -37.12 75.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.865 . . . . 0.0 109.14 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.43 8.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.315 -0.866 . . . . 0.0 109.333 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.39 -31.5 70.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -0.8 . . . . 0.0 110.207 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.73 HD13 HH21 ' A' ' 24' ' ' ARG . 79.7 mt -69.94 152.03 96.04 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.219 -0.926 . . . . 0.0 109.977 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -43.29 136.18 5.77 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.457 2.105 . . . . 0.0 112.139 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -52.56 -43.75 65.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.497 -0.752 . . . . 0.0 110.815 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.552 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.1 p-90 -71.48 -39.8 70.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.046 -1.034 . . . . 0.0 110.472 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.73 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.38 -43.04 99.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.123 -0.986 . . . . 0.0 110.683 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.551 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 39.4 mt-30 -50.83 -41.94 58.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.005 -1.06 . . . . 0.0 109.846 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.88 -38.7 91.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 108.563 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.44 -52.15 65.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.432 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.37 -32.14 68.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 110.287 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.551 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.6 mtm180 -78.35 -42.45 30.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 110.592 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.61 -39.17 91.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 108.957 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.52 -20.54 56.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.9 . . . . 0.0 108.998 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.597 ' HG2' HH11 ' A' ' 32' ' ' ARG . 40.2 mtt-85 -111.72 8.83 20.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -178.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.9 47.18 14.62 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' O ' ' CG ' ' A' ' 35' ' ' PHE . 77.7 mt -144.3 9.72 1.44 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.131 -1.217 . . . . 0.0 109.576 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 23.6 p90 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.53 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.216 -0.703 0 CA-C-O 121.263 0.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 6' ' ' PHE . 3.1 p 46.79 35.41 3.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 109.475 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 14' ' ' ARG . 7.0 m-20 -56.32 -32.66 64.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 108.905 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -77.94 -56.92 4.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 108.949 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.5 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.421 -0.799 . . . . 0.0 109.235 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 2' ' ' SER . 50.3 t80 -56.74 -59.2 5.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.868 . . . . 0.0 109.777 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -50.29 -33.19 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.32 -29.46 63.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.546 HG13 ' NH1' ' A' ' 32' ' ' ARG . 72.2 t -73.77 -50.26 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.114 -0.992 . . . . 0.0 111.189 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.483 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.65 21.14 72.75 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.6 ptp -154.79 154.36 32.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -1.125 . . . . 0.0 109.498 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.42 154.51 41.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.328 -0.857 . . . . 0.0 109.581 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' A' ' 3' ' ' ASP . 47.8 mtm-85 -54.69 -28.54 48.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.885 . . . . 0.0 109.5 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 m -62.28 -47.37 84.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 0.0 108.939 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.81 66.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.339 -0.851 . . . . 0.0 109.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -59.27 -38.84 81.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 109.14 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -59.13 -16.63 20.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.238 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.84 -35.23 79.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 110.169 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.693 HD13 HH21 ' A' ' 24' ' ' ARG . 48.5 mt -62.45 152.95 78.73 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.158 -0.964 . . . . 0.0 110.002 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -43.85 135.7 7.44 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.477 2.118 . . . . 0.0 112.109 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.92 -47.85 67.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.861 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.522 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 43.1 p-90 -63.82 -36.91 85.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.096 -1.003 . . . . 0.0 110.556 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.693 HH21 HD13 ' A' ' 20' ' ' LEU . 3.1 ttp180 -67.58 -45.98 73.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.138 -0.976 . . . . 0.0 110.677 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 80.1 mt-30 -51.54 -45.66 63.07 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.063 -1.023 . . . . 0.0 109.811 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.23 -33.43 75.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.898 -1.126 . . . . 0.0 108.512 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -64.91 -52.22 57.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.501 -0.75 . . . . 0.0 109.431 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.58 -31.37 68.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.1 mtm180 -75.71 -42.46 50.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 110.641 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -63.2 -44.73 94.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.853 -1.155 . . . . 0.0 109.006 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.24 -15.64 60.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.902 . . . . 0.0 109.011 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.677 HH11 ' CG ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -89.75 -22.69 22.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.578 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.88 3.3 66.06 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 mt -104.06 160.04 15.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.163 -1.198 . . . . 0.0 109.64 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.241 -0.912 . . . . 0.0 109.497 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.496 HD23 HH12 ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.216 -0.709 0 CA-C-O 121.255 0.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 12.5 m 46.27 34.62 2.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.908 . . . . 0.0 109.442 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 29.4 p-10 -56.59 -31.85 64.67 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.135 -0.978 . . . . 0.0 108.916 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 36.2 tp10 -79.39 -56.01 4.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.332 -0.855 . . . . 0.0 108.948 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.55 -39.14 93.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 2' ' ' SER . 45.0 t80 -59.38 -59.42 5.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.355 -0.841 . . . . 0.0 109.874 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.666 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -50.8 -36.65 38.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.972 -178.73 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.72 68.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.7 t -72.98 -49.69 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.964 . . . . 0.0 111.284 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.566 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 78.33 21.61 69.65 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 ptp -151.56 157.61 42.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.154 -1.203 . . . . 0.0 109.449 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -74.09 156.23 37.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.564 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.496 HH12 HD23 ' A' ' 1' ' ' LEU . 52.4 mtp180 -54.67 -28.51 47.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.923 . . . . 0.0 109.47 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -61.6 -48.97 78.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.183 -0.948 . . . . 0.0 108.912 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -42.64 67.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.355 -0.84 . . . . 0.0 108.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -58.53 -37.69 76.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.17 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -16.66 12.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.299 -0.876 . . . . 0.0 109.283 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.33 -36.02 74.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.697 HD22 ' NH2' ' A' ' 24' ' ' ARG . 61.7 mt -61.61 151.78 77.0 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.181 -0.949 . . . . 0.0 109.981 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -42.0 144.3 1.03 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.481 2.121 . . . . 0.0 112.136 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.58 -38.15 77.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.577 -0.702 . . . . 0.0 110.8 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.435 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 45.9 p-90 -79.53 -31.46 42.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.065 -1.022 . . . . 0.0 110.548 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.697 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.9 ttp180 -70.43 -48.34 56.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.083 -1.011 . . . . 0.0 110.643 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 7.1 pt20 -48.3 -39.91 23.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 0.0 109.816 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.41 ' HG3' HH21 ' A' ' 29' ' ' ARG . 96.4 mt-30 -67.0 -38.06 85.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.862 -1.149 . . . . 0.0 108.548 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -61.24 -51.43 68.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.457 -0.777 . . . . 0.0 109.483 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.39 -31.2 69.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.297 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.41 HH21 ' HG3' ' A' ' 26' ' ' GLN . 81.3 mtm180 -75.25 -46.37 34.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.041 -1.037 . . . . 0.0 110.576 -178.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -65.97 -33.62 76.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.799 -1.188 . . . . 0.0 108.98 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.3 -24.88 60.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.288 -0.883 . . . . 0.0 109.038 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -109.06 -10.3 15.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.473 -0.767 . . . . 0.0 110.532 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.27 9.08 85.79 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 mt -112.56 139.84 47.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.089 -1.242 . . . . 0.0 109.632 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.6 p90 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.211 -0.931 . . . . 0.0 109.538 -179.555 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.793 0 CA-C-O 121.372 0.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.47 ' O ' ' OG ' ' A' ' 2' ' ' SER . 23.4 p -141.76 68.49 1.33 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.514 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -58.13 -32.93 68.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 108.9 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -66.52 -50.36 63.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.408 -0.808 . . . . 0.0 108.95 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -75.24 -49.7 18.49 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -53.29 -58.95 5.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.412 HH21 HG22 ' A' ' 13' ' ' THR . 41.9 ttm180 -50.56 -36.24 33.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.261 -0.899 . . . . 0.0 109.983 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.06 65.96 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.63 -51.19 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.505 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.77 26.27 56.59 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.3 ptm -157.87 157.45 33.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.156 -1.203 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.412 HG22 HH21 ' A' ' 7' ' ' ARG . 22.6 p -72.8 154.02 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 109.561 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -54.15 -28.17 38.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.544 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 t -60.74 -46.57 89.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 108.964 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -43.0 63.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.389 -0.819 . . . . 0.0 109.034 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.45 -35.76 74.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.251 -0.906 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -17.22 23.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.229 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -59.3 -34.93 72.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.384 -0.823 . . . . 0.0 110.139 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.703 HD22 ' NH2' ' A' ' 24' ' ' ARG . 76.2 mt -63.82 151.67 88.52 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.118 -0.989 . . . . 0.0 109.923 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -42.22 141.41 2.03 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.458 2.105 . . . . 0.0 112.123 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.55 -37.66 70.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.568 -0.707 . . . . 0.0 110.84 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 47.7 p-90 -78.64 -30.96 46.68 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 110.482 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.703 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.7 ttp180 -69.8 -46.57 65.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.018 -1.051 . . . . 0.0 110.729 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.505 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.8 pt20 -48.82 -40.8 30.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.015 -1.053 . . . . 0.0 109.798 -179.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.4 -37.16 84.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.836 -1.165 . . . . 0.0 108.503 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 18.7 t-20 -62.27 -51.26 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.441 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -71.09 -31.18 67.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.37 -0.831 . . . . 0.0 110.29 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.1 mtm180 -79.45 -44.24 21.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.054 -1.029 . . . . 0.0 110.579 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -61.03 -42.01 97.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.023 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 2.3 mp0 -64.92 -14.38 59.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 109.056 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.585 ' CA ' ' HE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.3 -16.06 28.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 110.527 -178.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.54 -2.88 81.18 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 73.5 mt -85.72 -10.99 54.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.12 -1.224 . . . . 0.0 109.614 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 50.5 m-85 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.292 -0.88 . . . . 0.0 109.51 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.324 0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.3 m -63.43 72.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.508 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.9 p30 -59.9 -31.79 70.14 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.234 -0.916 . . . . 0.0 108.932 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.2 tt0 -69.5 -54.41 14.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.92 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -72.36 -44.15 62.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.402 -0.811 . . . . 0.0 109.191 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CE2' ' NE ' ' A' ' 14' ' ' ARG . 55.4 t80 -52.12 -60.56 3.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.792 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -49.53 -34.46 17.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.08 66.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 110.311 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t -73.76 -48.69 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.021 . . . . 0.0 111.245 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.533 ' C ' ' SD ' ' A' ' 12' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.9 7.99 55.96 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.533 ' SD ' ' C ' ' A' ' 10' ' ' PF5 . 0.0 OUTLIER -144.01 169.9 16.96 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 179.681 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 p -83.34 159.45 21.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.869 . . . . 0.0 109.585 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.759 HH12 HH11 ' A' ' 29' ' ' ARG . 24.6 mmt180 -53.81 -26.8 25.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.283 -0.886 . . . . 0.0 109.5 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -55.82 -48.15 75.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.123 -0.985 . . . . 0.0 108.947 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -49.27 18.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.0 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -56.65 -36.08 69.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.31 -0.868 . . . . 0.0 109.186 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -16.93 18.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.246 -0.909 . . . . 0.0 109.339 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -60.1 -33.94 72.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.731 HD13 HH21 ' A' ' 24' ' ' ARG . 80.1 mt -65.48 152.15 92.92 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.217 -0.927 . . . . 0.0 109.967 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -42.85 144.03 1.56 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.521 2.147 . . . . 0.0 112.084 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.27 -37.09 76.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.519 -0.738 . . . . 0.0 110.771 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 49.6 p-90 -78.84 -32.14 46.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.02 -1.05 . . . . 0.0 110.535 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.731 HH21 HD13 ' A' ' 20' ' ' LEU . 4.7 ttp180 -67.57 -45.88 74.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.12 -0.988 . . . . 0.0 110.696 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.564 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.2 pt20 -48.89 -42.79 37.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.962 -1.086 . . . . 0.0 109.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.428 ' CG ' HH21 ' A' ' 29' ' ' ARG . 81.5 mt-30 -63.61 -36.07 82.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.826 -1.171 . . . . 0.0 108.486 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.87 -52.2 61.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.536 -0.728 . . . . 0.0 109.425 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.11 -32.02 68.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.32 -0.863 . . . . 0.0 110.226 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.759 HH11 HH12 ' A' ' 14' ' ' ARG . 84.2 mtm180 -76.36 -41.94 46.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.04 -1.038 . . . . 0.0 110.559 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -66.91 -35.33 79.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.771 -1.206 . . . . 0.0 109.003 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.16 -25.6 47.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 109.109 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.661 HH11 ' CG ' ' A' ' 32' ' ' ARG . 4.8 mtt-85 -105.71 2.24 27.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.27 1.74 90.45 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.569 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 14.6 mt -89.05 -29.86 19.12 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.112 -1.228 . . . . 0.0 109.629 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 21.0 p90 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.258 0.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 6' ' ' PHE . 2.3 m -148.04 73.47 1.26 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.238 -0.914 . . . . 0.0 109.537 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 27.7 p-10 -59.82 -32.76 70.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 0.0 108.929 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 35.8 tp10 -70.24 -50.59 38.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.284 -0.885 . . . . 0.0 108.948 179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.14 -47.29 36.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 109.231 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 2' ' ' SER . 41.3 t80 -51.12 -58.36 6.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.271 -0.893 . . . . 0.0 109.791 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.08 -38.25 50.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.226 -0.922 . . . . 0.0 109.937 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.63 66.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.316 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.8 t -72.66 -53.09 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.08 -1.013 . . . . 0.0 111.201 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PF5 . . . . . 0.552 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.37 18.27 79.26 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 tpp -143.58 157.71 44.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.238 -1.154 . . . . 0.0 109.442 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.3 p -77.68 152.43 33.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.599 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -53.49 -29.07 34.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 109.452 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -67.12 -45.62 76.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 -35.45 63.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.388 -0.82 . . . . 0.0 109.054 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -59.07 -34.77 72.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 109.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -9.24 5.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 0.0 109.23 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.74 -32.73 74.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.806 . . . . 0.0 110.228 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.507 HD22 HH21 ' A' ' 24' ' ' ARG . 6.4 mt -71.21 153.77 94.13 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.128 -0.982 . . . . 0.0 109.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -44.21 132.96 9.05 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.481 2.121 . . . . 0.0 112.135 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -50.56 -44.74 56.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.513 -0.742 . . . . 0.0 110.821 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.566 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.0 p-90 -70.38 -41.02 73.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.099 -1.001 . . . . 0.0 110.471 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.566 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 28.9 ttp180 -62.58 -41.59 99.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.125 -0.984 . . . . 0.0 110.662 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -49.16 -40.83 34.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.002 -1.061 . . . . 0.0 109.766 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.6 -38.22 90.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.865 -1.147 . . . . 0.0 108.505 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -60.54 -49.38 77.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.74 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -72.49 -31.74 65.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 0.0 110.302 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -82.56 -50.13 9.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.033 . . . . 0.0 110.579 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HG3' HH11 ' A' ' 30' ' ' ARG . 51.5 ttm-85 -59.68 -43.63 93.94 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.775 -1.203 . . . . 0.0 109.017 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.81 -20.85 62.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.317 -0.865 . . . . 0.0 109.092 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -81.56 -21.1 38.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.456 -0.777 . . . . 0.0 110.512 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.98 -3.7 70.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.901 -1.279 . . . . 0.0 109.901 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 68.8 mt -89.73 -4.56 57.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.097 -1.237 . . . . 0.0 109.607 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 62.3 m-85 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.462 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -71.92 -54.88 8.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 108.961 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.64 -42.75 70.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.357 -0.84 . . . . 0.0 109.206 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -52.61 -58.74 5.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.854 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.649 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.41 -36.41 32.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 0.0 109.991 -179.038 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -28.99 66.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.3 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 0.0 111.284 -178.798 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 ptp -151.51 155.35 38.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -1.155 . . . . 0.0 109.388 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 p -70.89 155.28 41.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.264 -0.897 . . . . 0.0 109.52 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -54.95 -28.44 51.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.236 -0.915 . . . . 0.0 109.561 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.9 p -62.82 -44.6 95.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.113 -0.992 . . . . 0.0 108.893 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.76 60.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.382 -0.824 . . . . 0.0 109.057 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -58.96 -38.6 79.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.164 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -16.57 18.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.315 -0.865 . . . . 0.0 109.223 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.03 -32.39 73.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.153 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.682 HD13 HH21 ' A' ' 24' ' ' ARG . 60.1 mt -68.58 151.77 97.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.171 -0.955 . . . . 0.0 109.974 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -44.26 136.43 8.2 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.393 2.062 . . . . 0.0 112.139 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.04 -46.83 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.545 -0.722 . . . . 0.0 110.891 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.524 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 37.8 p-90 -65.1 -36.29 83.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.016 -1.052 . . . . 0.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.682 HH21 HD13 ' A' ' 20' ' ' LEU . 3.1 ttp180 -67.38 -47.07 71.41 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.195 -0.941 . . . . 0.0 110.698 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.466 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 37.0 mt-30 -50.02 -44.44 51.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.007 -1.058 . . . . 0.0 109.798 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.02 -35.35 78.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 108.492 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -65.32 -51.7 58.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 109.508 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.72 -30.27 66.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 0.0 110.316 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.5 mtm180 -77.61 -46.47 22.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 110.554 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.36 -41.71 96.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.786 -1.196 . . . . 0.0 108.975 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.13 -18.99 62.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.151 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -90.49 -6.59 54.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.389 -0.819 . . . . 0.0 110.535 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.437 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.883 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.8 p30 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.1 tt0 -67.06 -48.74 67.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 108.891 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -75.52 -52.02 11.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 0.0 109.159 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -51.89 -59.27 4.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.4 HH21 HG22 ' A' ' 13' ' ' THR . 41.8 ttm180 -50.79 -36.42 36.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.293 -0.879 . . . . 0.0 110.009 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -28.01 65.87 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.279 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.136 -0.978 . . . . 0.0 111.256 -178.887 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -144.33 164.43 30.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -1.163 . . . . 0.0 109.349 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.4 HG22 HH21 ' A' ' 7' ' ' ARG . 11.6 p -76.43 156.68 32.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -54.9 -27.74 45.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 0.0 109.501 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -56.13 -45.71 79.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 108.891 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.28 35.58 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.819 . . . . 0.0 109.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -56.8 -35.47 68.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 109.187 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -17.79 10.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.4 -36.22 73.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.297 -0.877 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.71 HD13 HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.41 151.77 90.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.21 -0.931 . . . . 0.0 109.964 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -42.14 142.13 1.73 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.454 2.103 . . . . 0.0 112.064 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.29 -38.32 73.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.731 . . . . 0.0 110.787 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.411 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 44.7 p-90 -78.7 -29.82 45.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 110.522 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.71 HH21 HD13 ' A' ' 20' ' ' LEU . 4.8 ttp180 -70.88 -46.99 61.62 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.087 -1.008 . . . . 0.0 110.685 -178.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.528 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.9 pt20 -48.97 -42.56 38.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.948 -1.095 . . . . 0.0 109.863 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.43 ' CG ' HH21 ' A' ' 29' ' ' ARG . 94.4 mt-30 -64.98 -35.25 80.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.838 -1.164 . . . . 0.0 108.493 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -64.48 -52.88 55.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.49 -0.756 . . . . 0.0 109.467 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.2 mt -69.4 -32.09 70.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.528 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 83.5 mtm180 -76.48 -41.53 46.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.542 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.99 -34.55 76.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.798 -1.189 . . . . 0.0 109.039 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.22 -22.14 64.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.096 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -105.38 -0.37 26.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.803 . . . . 0.0 110.493 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.155 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -69.13 -52.13 31.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 108.981 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -69.14 -40.86 78.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.396 -0.815 . . . . 0.0 109.128 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -52.65 -59.19 4.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.888 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -50.59 -36.02 32.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.938 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.37 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 0.0 110.327 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.146 -0.971 . . . . 0.0 111.288 -178.737 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 ptp -150.35 155.46 39.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.237 -1.155 . . . . 0.0 109.392 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -72.32 156.81 38.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.299 -0.876 . . . . 0.0 109.589 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -54.51 -28.42 45.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -62.25 -46.55 88.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.962 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.563 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . -74.93 -44.72 46.97 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.009 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.492 ' C ' HD22 ' A' ' 19' ' ' ASN . 52.0 t80 -56.53 -33.21 65.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.35 -0.844 . . . . 0.0 109.094 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.49 -5.44 1.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.25 -0.906 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.63 HD22 ' H ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -67.83 -30.88 70.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 110.179 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.666 HD13 HH21 ' A' ' 24' ' ' ARG . 16.4 mt -66.46 151.51 96.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.184 -0.947 . . . . 0.0 109.949 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -42.38 143.93 1.33 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.473 2.115 . . . . 0.0 112.082 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.32 -38.89 71.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.501 -0.749 . . . . 0.0 110.838 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.6 p-90 -79.79 -30.57 40.62 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.105 -0.997 . . . . 0.0 110.537 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.666 HH21 HD13 ' A' ' 20' ' ' LEU . 6.0 ttp180 -70.95 -47.39 59.25 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.111 -0.993 . . . . 0.0 110.672 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -48.4 -39.58 22.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.818 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.96 -36.66 82.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.873 -1.142 . . . . 0.0 108.51 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -62.25 -52.29 64.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.492 -0.755 . . . . 0.0 109.469 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.94 -31.91 71.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.298 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -79.1 -44.25 22.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.986 -1.071 . . . . 0.0 110.519 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.842 -1.162 . . . . 0.0 108.976 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.15 -17.39 63.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.029 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.38 -23.41 32.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 0.0 110.548 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 33.9 p-10 . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 6.5 tp10 -67.85 -50.28 57.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.459 -0.776 . . . . 0.0 108.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -74.59 -47.41 32.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.336 -0.852 . . . . 0.0 109.222 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -52.52 -59.78 4.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 109.817 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.71 -36.63 37.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 -178.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.77 -27.94 66.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.497 ' CG1' HH11 ' A' ' 32' ' ' ARG . 70.7 t . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.137 -0.977 . . . . 0.0 111.244 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.1 ptp -146.06 163.27 35.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.173 -1.192 . . . . 0.0 109.391 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -76.8 158.33 30.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 109.579 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -54.41 -27.2 35.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.47 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -56.02 -47.1 78.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 108.957 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -45.82 42.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.394 -0.816 . . . . 0.0 108.993 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -57.4 -37.49 72.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.184 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.64 -12.44 1.82 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.241 -0.912 . . . . 0.0 109.27 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.87 -30.03 71.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.345 -0.847 . . . . 0.0 110.217 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.679 HD13 HH21 ' A' ' 24' ' ' ARG . 38.9 mt -72.4 152.49 92.03 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.18 -0.95 . . . . 0.0 109.996 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -44.28 134.73 8.91 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.536 2.158 . . . . 0.0 112.139 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.44 -45.89 56.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.586 -0.696 . . . . 0.0 110.842 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.57 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.6 p-90 -69.49 -41.09 76.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.056 -1.028 . . . . 0.0 110.517 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.679 HH21 HD13 ' A' ' 20' ' ' LEU . 4.3 ttp180 -60.94 -41.66 96.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.082 -1.011 . . . . 0.0 110.726 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.537 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 79.5 mt-30 -50.8 -42.36 58.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.983 -1.073 . . . . 0.0 109.868 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.527 ' OE1' ' NH2' ' A' ' 29' ' ' ARG . 15.6 mm100 -63.05 -38.42 91.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.856 -1.152 . . . . 0.0 108.509 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.21 -50.68 72.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.441 -0.787 . . . . 0.0 109.387 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -73.57 -31.71 63.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 110.242 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 86.2 mtm180 -79.15 -46.56 17.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.078 -1.014 . . . . 0.0 110.602 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.66 -35.51 80.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.725 -1.235 . . . . 0.0 109.002 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.19 -24.45 63.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 0.0 109.014 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.497 HH11 ' CG1' ' A' ' 9' ' ' VAL . 95.5 mtt180 -107.44 8.18 29.37 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 110.521 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 C-N-CA 119.656 -1.259 . . . . 0.0 109.963 179.407 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.32 -53.46 29.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.324 -0.86 . . . . 0.0 108.948 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.59 -47.7 30.9 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.309 -0.87 . . . . 0.0 109.226 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 31.4 t80 -52.05 -59.75 3.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.312 -0.867 . . . . 0.0 109.813 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.653 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.74 -36.38 36.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 110.018 -178.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.08 68.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.254 -0.904 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.046 -1.034 . . . . 0.0 111.272 -178.864 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.8 ptp -145.24 162.35 37.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.18 -1.188 . . . . 0.0 109.476 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -75.16 154.99 37.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.637 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -54.75 -28.06 45.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.226 -0.921 . . . . 0.0 109.477 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 m -57.78 -44.18 86.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 108.989 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -45.99 39.98 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 109.125 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -58.65 -36.64 74.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.862 . . . . 0.0 109.174 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -17.46 13.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.298 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.488 HD22 ' N ' ' A' ' 19' ' ' ASN . 2.3 m120 -60.82 -33.55 73.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 110.191 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.723 HD13 HH21 ' A' ' 24' ' ' ARG . 76.3 mt -66.22 151.56 95.51 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.112 -0.993 . . . . 0.0 110.0 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -44.27 140.32 5.77 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.493 2.129 . . . . 0.0 112.098 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.06 -39.16 74.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.567 -0.708 . . . . 0.0 110.821 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 36.2 p-90 -73.93 -29.06 61.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.999 -1.063 . . . . 0.0 110.481 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.723 HH21 HD13 ' A' ' 20' ' ' LEU . 4.4 ttp180 -73.89 -49.07 26.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.146 -0.971 . . . . 0.0 110.668 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.559 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.5 pt20 -48.64 -44.21 37.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.954 -1.091 . . . . 0.0 109.842 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' HH21 ' A' ' 29' ' ' ARG . 91.6 mt-30 -62.51 -35.62 79.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.938 -1.101 . . . . 0.0 108.551 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -65.5 -51.94 56.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.522 -0.736 . . . . 0.0 109.46 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.71 -32.06 69.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.461 -0.774 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.9 mtm180 -74.35 -44.72 51.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.03 -1.043 . . . . 0.0 110.61 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -68.92 -32.28 71.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.788 -1.195 . . . . 0.0 109.021 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.22 -24.03 64.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 0.0 108.979 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.531 HH11 ' HG2' ' A' ' 32' ' ' ARG . 67.8 mtt-85 -106.1 4.69 29.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.408 -0.808 . . . . 0.0 110.523 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.448 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.168 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.56 -52.67 35.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 0.0 108.955 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.17 -43.64 81.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.408 -0.808 . . . . 0.0 109.25 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -53.89 -59.95 3.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 0.0 109.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.654 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -49.53 -34.54 17.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 0.0 110.014 -178.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.59 -27.45 65.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.198 -0.939 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.54 HG13 ' NH1' ' A' ' 32' ' ' ARG . 70.4 t . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.236 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.0 ttp -149.78 161.7 41.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.175 -1.191 . . . . 0.0 109.38 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -78.79 151.49 31.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 0.0 109.606 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -60.2 -28.71 68.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.46 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p -58.62 -51.64 69.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -0.952 . . . . 0.0 108.912 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.73 -31.35 64.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -56.59 -33.69 66.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 109.186 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.99 -14.59 55.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.277 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.8 -34.23 77.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.393 -0.817 . . . . 0.0 110.191 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.69 HD13 HH21 ' A' ' 24' ' ' ARG . 43.5 mt -66.82 151.76 96.41 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.163 -0.961 . . . . 0.0 109.992 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -43.04 135.07 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.505 2.137 . . . . 0.0 112.088 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -51.29 -44.41 61.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.502 -0.749 . . . . 0.0 110.845 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.4 p-90 -69.46 -39.5 77.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.061 -1.025 . . . . 0.0 110.511 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.69 HH21 HD13 ' A' ' 20' ' ' LEU . 3.4 ttp180 -62.93 -43.78 97.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.072 -1.017 . . . . 0.0 110.767 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -50.7 -42.1 56.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.926 -1.109 . . . . 0.0 109.796 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ARG . 96.1 mt-30 -66.14 -36.96 84.51 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.83 -1.169 . . . . 0.0 108.499 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.79 -52.22 66.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.511 -0.743 . . . . 0.0 109.474 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.77 -32.57 71.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 0.0 110.275 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -83.42 -45.76 13.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.065 -1.022 . . . . 0.0 110.643 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' GLN . 40.0 ttm180 -60.35 -43.99 95.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.846 -1.159 . . . . 0.0 109.004 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.23 -14.77 57.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 0.0 109.096 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.668 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.08 -12.0 36.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 110.521 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -69.44 -55.29 10.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 108.906 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.87 -43.13 75.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.288 -0.883 . . . . 0.0 109.207 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.631 ' CD2' ' NH1' ' A' ' 14' ' ' ARG . 51.8 t80 -51.38 -59.1 4.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.85 . . . . 0.0 109.835 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -50.0 -36.25 27.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.865 . . . . 0.0 109.984 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.3 66.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 0.0 110.262 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.111 -0.993 . . . . 0.0 111.25 -178.711 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.9 ptp -151.04 155.7 39.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -1.132 . . . . 0.0 109.453 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 p -73.42 157.8 36.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 109.568 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.631 ' NH1' ' CD2' ' A' ' 6' ' ' PHE . 82.4 mtt-85 -54.62 -28.4 46.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.19 -0.944 . . . . 0.0 109.475 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 m -62.33 -47.16 85.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -0.998 . . . . 0.0 108.968 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.1 57.51 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.023 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -59.07 -38.48 79.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.867 . . . . 0.0 109.189 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.62 -15.46 11.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.315 -0.865 . . . . 0.0 109.222 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.06 -33.74 74.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.739 HD13 HH21 ' A' ' 24' ' ' ARG . 61.9 mt -65.78 152.34 93.24 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 109.973 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -43.12 134.33 5.95 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.458 2.106 . . . . 0.0 112.128 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.42 -45.11 55.54 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.606 -0.683 . . . . 0.0 110.799 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.554 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.8 p-90 -69.55 -40.24 76.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.018 -1.052 . . . . 0.0 110.484 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.739 HH21 HD13 ' A' ' 20' ' ' LEU . 3.6 ttp180 -61.69 -43.27 99.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.2 -0.937 . . . . 0.0 110.66 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 77.6 mt-30 -50.83 -42.2 58.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 109.928 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.47 -36.61 84.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.909 -1.119 . . . . 0.0 108.543 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -62.97 -51.55 66.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.473 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.6 mt -71.3 -29.83 65.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.292 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -79.3 -46.87 16.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.997 -1.064 . . . . 0.0 110.516 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -63.22 -40.99 99.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.787 -1.196 . . . . 0.0 108.981 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -62.66 -18.66 62.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.057 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 1.4 tpm_? -95.84 -6.99 38.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.508 -0.745 . . . . 0.0 110.628 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -67.05 -49.32 65.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.933 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.71 -42.52 86.22 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.34 -0.85 . . . . 0.0 109.21 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -56.48 -59.66 4.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.794 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.06 -35.29 24.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.996 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.41 65.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.912 . . . . 0.0 110.305 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.036 -1.04 . . . . 0.0 111.216 -178.706 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 ptp -151.08 156.93 42.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -1.151 . . . . 0.0 109.452 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 p -70.92 154.87 41.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.577 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -54.77 -28.39 48.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -0.894 . . . . 0.0 109.447 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.5 p -62.98 -46.89 85.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.0 108.919 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.78 -42.73 60.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.006 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.02 -38.94 80.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.182 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -16.5 10.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.275 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -62.67 -33.31 74.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.874 . . . . 0.0 110.198 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.701 HD13 HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.38 152.62 88.43 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.174 -0.954 . . . . 0.0 110.02 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.66 135.21 9.78 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.443 2.096 . . . . 0.0 112.127 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.66 -47.43 67.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.61 -0.681 . . . . 0.0 110.832 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 39.5 p-90 -64.37 -36.39 83.99 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.03 -1.044 . . . . 0.0 110.495 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.701 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -67.91 -46.37 71.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.084 -1.01 . . . . 0.0 110.683 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 78.3 mt-30 -49.88 -45.77 50.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.997 -1.065 . . . . 0.0 109.817 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.76 -37.72 85.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.856 -1.152 . . . . 0.0 108.501 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -50.73 70.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.441 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.4 mt -73.4 -31.66 64.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.298 -0.876 . . . . 0.0 110.31 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -80.1 -48.02 13.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.953 -1.092 . . . . 0.0 110.621 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.14 -43.9 92.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.789 -1.195 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.71 -19.05 63.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.256 -0.903 . . . . 0.0 109.082 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -88.84 -20.97 23.96 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.461 -0.774 . . . . 0.0 110.492 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.574 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.56 -54.01 10.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 0.0 108.935 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -71.38 -41.84 69.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.85 . . . . 0.0 109.168 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -52.75 -59.06 4.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.389 -0.82 . . . . 0.0 109.858 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 13' ' ' THR . 42.7 ttm180 -50.35 -36.34 31.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 109.926 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.79 -27.85 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 110.337 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.071 -1.018 . . . . 0.0 111.276 -178.647 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -142.47 166.8 23.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -1.123 . . . . 0.0 109.375 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.422 HG22 HH21 ' A' ' 7' ' ' ARG . 31.7 p -82.55 155.65 24.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -53.35 -28.64 29.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 109.487 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -65.59 -47.21 76.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 108.958 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.35 -44.43 45.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 0.0 109.007 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -56.95 -38.06 72.43 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.28 22.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.266 -0.896 . . . . 0.0 109.244 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -61.96 -30.68 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.315 -0.865 . . . . 0.0 110.143 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.737 HD13 HH21 ' A' ' 24' ' ' ARG . 71.1 mt -66.51 151.85 95.65 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.217 -0.927 . . . . 0.0 109.965 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -42.92 136.73 4.7 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.445 2.097 . . . . 0.0 112.062 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -52.55 -43.03 64.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.556 -0.715 . . . . 0.0 110.837 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.543 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.3 p-90 -71.86 -39.37 69.73 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.122 -0.986 . . . . 0.0 110.472 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.737 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.91 -43.74 98.21 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.149 -0.969 . . . . 0.0 110.698 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -49.98 -42.37 48.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.028 -1.045 . . . . 0.0 109.868 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.677 HE21 ' NH2' ' A' ' 29' ' ' ARG . 96.8 mm-40 -62.79 -39.02 92.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.926 -1.109 . . . . 0.0 108.437 178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -60.77 -49.92 75.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.484 -0.76 . . . . 0.0 109.469 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 mt -73.44 -31.61 63.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 110.303 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.677 ' NH2' HE21 ' A' ' 26' ' ' GLN . 83.1 mtm180 -82.5 -46.85 12.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.098 -1.001 . . . . 0.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.05 -43.58 95.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.909 -1.119 . . . . 0.0 109.035 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.72 -14.25 57.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -0.872 . . . . 0.0 109.048 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.97 -11.27 36.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.497 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.44 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -179.846 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -70.38 -51.92 26.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.56 -44.88 69.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.416 -0.803 . . . . 0.0 109.203 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.74 -59.31 5.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 0.0 109.795 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -50.07 -36.02 27.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.75 67.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.941 . . . . 0.0 110.305 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 111.214 -178.461 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.9 ttm -143.33 158.81 43.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -1.172 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -77.54 150.9 34.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.512 ' HG3' HH11 ' A' ' 14' ' ' ARG . 45.0 mtm-85 -57.15 -29.98 64.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 109.426 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -68.46 -47.07 68.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 108.966 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.14 63.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.337 -0.852 . . . . 0.0 109.089 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.23 -39.58 79.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.298 -0.876 . . . . 0.0 109.208 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -17.33 25.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.203 -0.936 . . . . 0.0 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -62.55 -35.88 80.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.366 -0.833 . . . . 0.0 110.224 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.721 HD22 ' NH2' ' A' ' 24' ' ' ARG . 82.5 mt -55.78 152.04 20.95 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.153 -0.967 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -42.75 142.32 2.12 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.475 2.116 . . . . 0.0 112.101 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 tp -57.3 -37.46 72.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.496 -0.753 . . . . 0.0 110.813 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.456 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.5 p-90 -79.09 -32.87 44.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.039 -1.038 . . . . 0.0 110.517 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.721 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.7 ttp180 -68.7 -49.55 58.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 110.7 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.61 HE21 ' NH2' ' A' ' 29' ' ' ARG . 15.4 pt20 -48.37 -40.54 25.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.98 -1.075 . . . . 0.0 109.817 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.409 ' CG ' HH21 ' A' ' 29' ' ' ARG . 92.0 mt-30 -65.99 -35.44 80.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 108.507 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.4 -52.65 57.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.486 -0.759 . . . . 0.0 109.468 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.7 mt -69.04 -32.09 71.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 110.299 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.61 ' NH2' HE21 ' A' ' 25' ' ' GLN . 82.4 mtm180 -75.39 -45.59 38.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.002 . . . . 0.0 110.618 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -68.73 -33.9 74.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.785 -1.197 . . . . 0.0 109.0 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -52.6 -26.75 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.195 -0.941 . . . . 0.0 109.051 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.696 HH11 ' HG2' ' A' ' 32' ' ' ARG . 13.6 mtt-85 -107.8 -2.25 20.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.501 -0.749 . . . . 0.0 110.525 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.519 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.752 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.0 t0 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -77.96 -57.16 3.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 0.0 108.955 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.65 -39.05 93.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.379 -0.826 . . . . 0.0 109.229 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -56.94 -59.46 5.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.849 . . . . 0.0 109.838 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -49.81 -34.81 20.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.977 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -28.68 64.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.215 -0.928 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.102 -0.999 . . . . 0.0 111.19 -178.51 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.1 ptm -163.51 155.39 17.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -1.157 . . . . 0.0 109.445 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -70.9 153.58 42.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 109.585 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.487 ' HG3' HH11 ' A' ' 14' ' ' ARG . 49.5 mtm-85 -55.23 -28.84 56.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 109.447 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -63.15 -44.36 95.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.222 -0.923 . . . . 0.0 108.878 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.39 -39.29 62.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.404 -0.81 . . . . 0.0 109.068 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.51 -35.35 75.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 109.154 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -15.54 25.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.262 -0.899 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.38 -32.63 72.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 110.217 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HH21 ' A' ' 24' ' ' ARG . 78.2 mt -67.72 152.44 96.31 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.92 . . . . 0.0 109.932 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -43.59 133.22 7.42 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.473 2.115 . . . . 0.0 112.16 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.1 tt -48.17 -53.24 17.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.515 -0.74 . . . . 0.0 110.834 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.3 p-90 -61.74 -41.73 98.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.497 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.735 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -60.93 -44.21 97.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.191 -0.943 . . . . 0.0 110.662 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 77.2 mt-30 -50.7 -42.33 56.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.891 -1.131 . . . . 0.0 109.816 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.636 HE21 ' NH2' ' A' ' 29' ' ' ARG . 91.3 mm-40 -65.66 -36.23 83.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.845 -1.159 . . . . 0.0 108.492 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -62.28 -52.53 63.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.564 -0.71 . . . . 0.0 109.453 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -70.35 -31.4 68.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.636 ' NH2' HE21 ' A' ' 26' ' ' GLN . 85.7 mtm180 -79.45 -41.29 27.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.048 -1.033 . . . . 0.0 110.519 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -62.83 -45.04 94.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.778 -1.201 . . . . 0.0 109.01 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.1 -17.34 62.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.074 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -86.11 -23.0 26.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.431 -0.793 . . . . 0.0 110.503 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.469 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.795 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -71.8 -53.01 14.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 108.94 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -69.54 -42.75 74.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.409 -0.807 . . . . 0.0 109.25 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.98 -58.8 5.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.354 -0.841 . . . . 0.0 109.839 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.666 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.24 -36.72 32.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 -178.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.1 67.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 110.325 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t . . . . . 0 N--CA 1.493 1.698 0 O-C-N 121.099 -1.0 . . . . 0.0 111.24 -178.809 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ptm -158.23 153.82 26.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.233 -1.157 . . . . 0.0 109.431 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.96 155.47 40.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 0.0 109.616 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -54.33 -28.63 43.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.529 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m -61.26 -45.35 94.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 108.901 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' OD1' ' A' ' 19' ' ' ASN . . . -73.99 -44.06 55.96 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.982 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' C ' ' H ' ' A' ' 19' ' ' ASN . 43.8 t80 -56.9 -33.22 66.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.192 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.13 -1.75 1.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 16' ' ' ALA . 26.3 p-10 -73.35 -24.59 60.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.379 -0.826 . . . . 0.0 110.218 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HH21 ' A' ' 24' ' ' ARG . 11.1 mt -76.73 153.73 83.29 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.17 -0.957 . . . . 0.0 109.966 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.41 137.19 8.23 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.463 2.109 . . . . 0.0 112.109 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.8 tp -51.98 -44.41 64.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.532 -0.73 . . . . 0.0 110.845 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.535 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.5 p-90 -71.62 -38.76 70.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 110.455 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.735 HH21 HD13 ' A' ' 20' ' ' LEU . 6.4 ttp180 -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.175 -0.953 . . . . 0.0 110.707 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -50.07 -41.46 47.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.033 -1.042 . . . . 0.0 109.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.65 -37.37 87.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.834 -1.166 . . . . 0.0 108.479 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.42 -52.1 64.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.442 -0.786 . . . . 0.0 109.453 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.21 -30.45 67.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.324 -0.86 . . . . 0.0 110.325 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -80.1 -42.88 22.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.045 -1.035 . . . . 0.0 110.525 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.4 -42.27 92.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.759 -1.213 . . . . 0.0 108.963 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.6 -16.0 59.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 109.107 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 32' ' ' ARG . 1.5 tpm_? -97.0 -6.81 34.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.417 -0.802 . . . . 0.0 110.551 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.43 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 34.3 p-10 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.5 tt0 -69.86 -52.4 25.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.001 179.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -72.45 -44.04 62.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.174 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.08 -59.06 5.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.844 . . . . 0.0 109.85 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.04 -34.8 22.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.53 -29.92 66.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.15 -0.969 . . . . 0.0 110.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.455 HG12 HH11 ' A' ' 32' ' ' ARG . 73.1 t . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.157 -0.965 . . . . 0.0 111.277 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 tpp -141.16 160.61 39.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.216 -1.167 . . . . 0.0 109.384 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 p -83.81 154.86 23.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.599 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -53.41 -28.82 31.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.425 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 t -66.55 -46.73 75.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 108.982 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.5 -43.99 46.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.377 -0.827 . . . . 0.0 109.012 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -56.85 -34.69 68.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.9 . . . . 0.0 109.19 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -14.2 39.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.341 -0.85 . . . . 0.0 109.263 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -61.93 -33.27 73.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.366 -0.834 . . . . 0.0 110.173 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.741 HD13 HH21 ' A' ' 24' ' ' ARG . 81.4 mt -65.63 152.49 92.6 Favored Pre-proline 0 N--CA 1.496 1.865 0 O-C-N 121.174 -0.954 . . . . 0.0 110.024 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -43.06 135.0 5.68 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.429 2.086 . . . . 0.0 112.175 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -50.52 -44.73 56.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.585 -0.697 . . . . 0.0 110.819 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 53.4 p-90 -69.88 -40.58 75.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.741 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.111 -0.993 . . . . 0.0 110.645 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 78.6 mt-30 -50.62 -41.85 55.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.097 -1.002 . . . . 0.0 109.822 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HG3' HH21 ' A' ' 29' ' ' ARG . 95.1 mt-30 -66.42 -36.33 82.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.121 . . . . 0.0 108.479 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.77 -52.24 65.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.501 -0.749 . . . . 0.0 109.433 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -69.14 -31.26 69.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 110.286 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.479 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 86.8 mtm180 -75.82 -38.49 58.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.589 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -70.17 -36.71 74.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.764 -1.21 . . . . 0.0 109.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -56.22 -23.38 35.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 109.082 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.455 HH11 HG12 ' A' ' 9' ' ' VAL . 97.2 mtt180 -111.01 -3.63 15.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.477 -0.764 . . . . 0.0 110.5 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.442 0 C-N-CA 119.672 -1.252 . . . . 0.0 109.983 179.114 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -67.93 -52.72 32.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 108.888 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -66.77 -42.17 86.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.84 . . . . 0.0 109.186 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.2 -60.07 3.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 0.0 109.833 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -49.32 -34.32 15.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.945 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -27.63 65.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.044 -1.035 . . . . 0.0 111.194 -178.359 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 16' ' ' ALA . 44.7 ttp -153.95 159.1 41.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -1.162 . . . . 0.0 109.364 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -76.1 152.19 36.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.887 . . . . 0.0 109.608 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -60.32 -28.35 68.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 109.484 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.0 p -58.38 -50.59 73.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.974 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB3' ' SD ' ' A' ' 12' ' ' MET . . . -74.12 -30.01 62.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.386 -0.821 . . . . 0.0 109.043 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -57.65 -36.52 71.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.228 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.35 -14.75 29.72 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.301 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.561 HD22 ' N ' ' A' ' 19' ' ' ASN . 2.0 m120 -63.88 -33.14 75.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.236 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.698 HD13 HH21 ' A' ' 24' ' ' ARG . 48.6 mt -68.28 152.05 96.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.138 -0.976 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -43.58 133.7 7.28 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.48 2.12 . . . . 0.0 112.095 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.3 tt -48.1 -54.28 13.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.563 -0.711 . . . . 0.0 110.795 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 54.0 p-90 -60.91 -42.16 97.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.017 -1.052 . . . . 0.0 110.498 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.698 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -60.86 -43.43 98.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.085 -1.01 . . . . 0.0 110.668 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.52 -42.2 54.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.956 -1.09 . . . . 0.0 109.804 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ARG . 93.0 mt-30 -66.95 -37.14 83.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.907 -1.121 . . . . 0.0 108.509 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.05 -52.02 67.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.499 -0.751 . . . . 0.0 109.434 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -31.86 68.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.313 -0.867 . . . . 0.0 110.28 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -83.39 -48.06 10.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.056 -1.028 . . . . 0.0 110.564 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.462 ' HG3' HH11 ' A' ' 30' ' ' ARG . 50.9 ttm-85 -59.29 -44.1 92.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.826 -1.171 . . . . 0.0 108.997 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 31' ' ' GLU . 13.4 tm-20 -60.04 -22.17 62.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.046 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -80.68 -21.76 41.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.399 -0.813 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -76.76 -56.77 4.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.31 -0.869 . . . . 0.0 108.956 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -64.51 -39.2 93.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -57.65 -60.11 4.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.321 -0.862 . . . . 0.0 109.884 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.665 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.37 -36.17 31.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 110.037 -178.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.82 70.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.036 -1.04 . . . . 0.0 111.225 -178.734 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -148.4 158.66 44.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.214 -1.168 . . . . 0.0 109.418 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -73.38 154.54 40.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.608 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -54.43 -28.5 44.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.511 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.7 m -60.79 -44.84 96.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 108.909 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.31 58.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -58.57 -37.12 75.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.865 . . . . 0.0 109.14 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.43 8.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.315 -0.866 . . . . 0.0 109.333 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.39 -31.5 70.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -0.8 . . . . 0.0 110.207 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.73 HD13 HH21 ' A' ' 24' ' ' ARG . 79.7 mt -69.94 152.03 96.04 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.219 -0.926 . . . . 0.0 109.977 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -43.29 136.18 5.77 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.457 2.105 . . . . 0.0 112.139 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -52.56 -43.75 65.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.497 -0.752 . . . . 0.0 110.815 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.552 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.1 p-90 -71.48 -39.8 70.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.046 -1.034 . . . . 0.0 110.472 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.73 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.38 -43.04 99.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.123 -0.986 . . . . 0.0 110.683 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.551 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 39.4 mt-30 -50.83 -41.94 58.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.005 -1.06 . . . . 0.0 109.846 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.88 -38.7 91.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 108.563 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.44 -52.15 65.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.432 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.37 -32.14 68.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 110.287 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.551 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.6 mtm180 -78.35 -42.45 30.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 110.592 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.61 -39.17 91.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 108.957 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.52 -20.54 56.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.9 . . . . 0.0 108.998 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.597 HH11 ' HG2' ' A' ' 32' ' ' ARG . 40.2 mtt-85 -111.72 8.83 20.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -178.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 179.195 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 14' ' ' ARG . 7.0 m-20 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -77.94 -56.92 4.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 108.949 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.5 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.421 -0.799 . . . . 0.0 109.235 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -56.74 -59.2 5.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.868 . . . . 0.0 109.777 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -50.29 -33.19 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.32 -29.46 63.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.546 HG13 ' NH1' ' A' ' 32' ' ' ARG . 72.2 t . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.114 -0.992 . . . . 0.0 111.189 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.6 ptp -154.79 154.36 32.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -1.125 . . . . 0.0 109.498 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.42 154.51 41.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.328 -0.857 . . . . 0.0 109.581 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' A' ' 3' ' ' ASP . 47.8 mtm-85 -54.69 -28.54 48.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.885 . . . . 0.0 109.5 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 m -62.28 -47.37 84.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 0.0 108.939 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.81 66.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.339 -0.851 . . . . 0.0 109.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -59.27 -38.84 81.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 109.14 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 -16.63 20.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.238 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.84 -35.23 79.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 110.169 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.693 HD13 HH21 ' A' ' 24' ' ' ARG . 48.5 mt -62.45 152.95 78.73 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.158 -0.964 . . . . 0.0 110.002 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -43.85 135.7 7.44 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.477 2.118 . . . . 0.0 112.109 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.92 -47.85 67.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.861 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.522 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 43.1 p-90 -63.82 -36.91 85.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.096 -1.003 . . . . 0.0 110.556 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.693 HH21 HD13 ' A' ' 20' ' ' LEU . 3.1 ttp180 -67.58 -45.98 73.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.138 -0.976 . . . . 0.0 110.677 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 25.7 mt-30 -51.54 -45.66 63.07 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.063 -1.023 . . . . 0.0 109.811 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.23 -33.43 75.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.898 -1.126 . . . . 0.0 108.512 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.91 -52.22 57.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.501 -0.75 . . . . 0.0 109.431 179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.58 -31.37 68.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.1 mtm180 -75.71 -42.46 50.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 110.641 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -63.2 -44.73 94.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.853 -1.155 . . . . 0.0 109.006 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.24 -15.64 60.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.902 . . . . 0.0 109.011 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.677 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -89.75 -22.69 22.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.578 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.836 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 29.4 p-10 . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 36.2 tp10 -79.39 -56.01 4.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.332 -0.855 . . . . 0.0 108.948 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.55 -39.14 93.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -59.38 -59.42 5.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.355 -0.841 . . . . 0.0 109.874 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.666 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -50.8 -36.65 38.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.972 -178.73 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.72 68.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.964 . . . . 0.0 111.284 -178.801 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 ptp -151.56 157.61 42.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.154 -1.203 . . . . 0.0 109.449 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -74.09 156.23 37.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.564 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -54.67 -28.51 47.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.923 . . . . 0.0 109.47 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -61.6 -48.97 78.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.183 -0.948 . . . . 0.0 108.912 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -42.64 67.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.355 -0.84 . . . . 0.0 108.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -58.53 -37.69 76.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.17 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -16.66 12.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.299 -0.876 . . . . 0.0 109.283 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.33 -36.02 74.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.697 HD22 ' NH2' ' A' ' 24' ' ' ARG . 61.7 mt -61.61 151.78 77.0 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.181 -0.949 . . . . 0.0 109.981 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -42.0 144.3 1.03 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.481 2.121 . . . . 0.0 112.136 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.58 -38.15 77.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.577 -0.702 . . . . 0.0 110.8 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.435 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 45.9 p-90 -79.53 -31.46 42.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.065 -1.022 . . . . 0.0 110.548 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.697 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.9 ttp180 -70.43 -48.34 56.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.083 -1.011 . . . . 0.0 110.643 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.556 HE21 ' NH2' ' A' ' 29' ' ' ARG . 15.3 pt20 -48.3 -39.91 23.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 0.0 109.816 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.41 ' HG3' HH21 ' A' ' 29' ' ' ARG . 96.4 mt-30 -67.0 -38.06 85.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.862 -1.149 . . . . 0.0 108.548 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -51.43 68.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.457 -0.777 . . . . 0.0 109.483 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.39 -31.2 69.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.297 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.556 ' NH2' HE21 ' A' ' 25' ' ' GLN . 81.3 mtm180 -75.25 -46.37 34.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.041 -1.037 . . . . 0.0 110.576 -178.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -65.97 -33.62 76.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.799 -1.188 . . . . 0.0 108.98 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.3 -24.88 60.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.288 -0.883 . . . . 0.0 109.038 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -109.06 -10.3 15.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.473 -0.767 . . . . 0.0 110.532 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.515 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -66.52 -50.36 63.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.408 -0.808 . . . . 0.0 108.95 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -75.24 -49.7 18.49 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -53.29 -58.95 5.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.412 HH21 HG22 ' A' ' 13' ' ' THR . 41.9 ttm180 -50.56 -36.24 33.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.261 -0.899 . . . . 0.0 109.983 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.06 65.96 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.752 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.3 ptm -157.87 157.45 33.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.156 -1.203 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.412 HG22 HH21 ' A' ' 7' ' ' ARG . 22.6 p -72.8 154.02 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 109.561 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -54.15 -28.17 38.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.544 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 t -60.74 -46.57 89.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 108.964 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -43.0 63.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.389 -0.819 . . . . 0.0 109.034 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.45 -35.76 74.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.251 -0.906 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -17.22 23.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.229 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -59.3 -34.93 72.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.384 -0.823 . . . . 0.0 110.139 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.703 HD22 ' NH2' ' A' ' 24' ' ' ARG . 76.2 mt -63.82 151.67 88.52 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.118 -0.989 . . . . 0.0 109.923 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -42.22 141.41 2.03 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.458 2.105 . . . . 0.0 112.123 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.55 -37.66 70.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.568 -0.707 . . . . 0.0 110.84 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 47.7 p-90 -78.64 -30.96 46.68 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 110.482 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.703 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.7 ttp180 -69.8 -46.57 65.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.018 -1.051 . . . . 0.0 110.729 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.505 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.8 pt20 -48.82 -40.8 30.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.015 -1.053 . . . . 0.0 109.798 -179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.4 -37.16 84.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.836 -1.165 . . . . 0.0 108.503 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.449 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 18.7 t-20 -62.27 -51.26 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.441 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -71.09 -31.18 67.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.37 -0.831 . . . . 0.0 110.29 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.1 mtm180 -79.45 -44.24 21.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.054 -1.029 . . . . 0.0 110.579 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -61.03 -42.01 97.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.023 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 2.3 mp0 -64.92 -14.38 59.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 109.056 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.585 ' CA ' ' HE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.3 -16.06 28.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 110.527 -178.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.481 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.9 p30 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.2 tt0 -69.5 -54.41 14.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.92 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -72.36 -44.15 62.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.402 -0.811 . . . . 0.0 109.191 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CE2' ' NE ' ' A' ' 14' ' ' ARG . 55.4 t80 -52.12 -60.56 3.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.792 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -49.53 -34.46 17.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.08 66.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 110.311 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.021 . . . . 0.0 111.245 -178.74 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.526 ' N ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -144.01 169.9 16.96 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 179.681 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 p -83.34 159.45 21.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.869 . . . . 0.0 109.585 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.759 HH12 HH11 ' A' ' 29' ' ' ARG . 24.6 mmt180 -53.81 -26.8 25.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.283 -0.886 . . . . 0.0 109.5 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -55.82 -48.15 75.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.123 -0.985 . . . . 0.0 108.947 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -49.27 18.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.0 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -56.65 -36.08 69.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.31 -0.868 . . . . 0.0 109.186 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -16.93 18.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.246 -0.909 . . . . 0.0 109.339 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -60.1 -33.94 72.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.731 HD13 HH21 ' A' ' 24' ' ' ARG . 80.1 mt -65.48 152.15 92.92 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.217 -0.927 . . . . 0.0 109.967 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -42.85 144.03 1.56 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.521 2.147 . . . . 0.0 112.084 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.27 -37.09 76.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.519 -0.738 . . . . 0.0 110.771 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 49.6 p-90 -78.84 -32.14 46.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.02 -1.05 . . . . 0.0 110.535 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.731 HH21 HD13 ' A' ' 20' ' ' LEU . 4.7 ttp180 -67.57 -45.88 74.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.12 -0.988 . . . . 0.0 110.696 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.564 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.2 pt20 -48.89 -42.79 37.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.962 -1.086 . . . . 0.0 109.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.428 ' CG ' HH21 ' A' ' 29' ' ' ARG . 81.5 mt-30 -63.61 -36.07 82.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.826 -1.171 . . . . 0.0 108.486 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.87 -52.2 61.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.536 -0.728 . . . . 0.0 109.425 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.11 -32.02 68.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.32 -0.863 . . . . 0.0 110.226 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.759 HH11 HH12 ' A' ' 14' ' ' ARG . 84.2 mtm180 -76.36 -41.94 46.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.04 -1.038 . . . . 0.0 110.559 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -66.91 -35.33 79.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.771 -1.206 . . . . 0.0 109.003 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.16 -25.6 47.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 109.109 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.661 ' CG ' HH11 ' A' ' 32' ' ' ARG . 4.8 mtt-85 -105.71 2.24 27.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.426 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.297 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 27.7 p-10 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 35.8 tp10 -70.24 -50.59 38.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.284 -0.885 . . . . 0.0 108.948 179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.14 -47.29 36.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 109.231 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -51.12 -58.36 6.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.271 -0.893 . . . . 0.0 109.791 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.08 -38.25 50.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.226 -0.922 . . . . 0.0 109.937 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.63 66.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.316 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.08 -1.013 . . . . 0.0 111.201 -178.603 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 tpp -143.58 157.71 44.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.238 -1.154 . . . . 0.0 109.442 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.3 p -77.68 152.43 33.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.599 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -53.49 -29.07 34.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 109.452 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -67.12 -45.62 76.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 -35.45 63.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.388 -0.82 . . . . 0.0 109.054 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -59.07 -34.77 72.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 109.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -9.24 5.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 0.0 109.23 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.74 -32.73 74.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.806 . . . . 0.0 110.228 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.507 HD22 HH21 ' A' ' 24' ' ' ARG . 6.4 mt -71.21 153.77 94.13 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.128 -0.982 . . . . 0.0 109.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -44.21 132.96 9.05 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.481 2.121 . . . . 0.0 112.135 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -50.56 -44.74 56.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.513 -0.742 . . . . 0.0 110.821 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.566 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.0 p-90 -70.38 -41.02 73.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.099 -1.001 . . . . 0.0 110.471 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.566 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 28.9 ttp180 -62.58 -41.59 99.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.125 -0.984 . . . . 0.0 110.662 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -49.16 -40.83 34.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.002 -1.061 . . . . 0.0 109.766 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.6 -38.22 90.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.865 -1.147 . . . . 0.0 108.505 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -60.54 -49.38 77.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.74 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -72.49 -31.74 65.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 0.0 110.302 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -82.56 -50.13 9.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.033 . . . . 0.0 110.579 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HG3' HH11 ' A' ' 30' ' ' ARG . 51.5 ttm-85 -59.68 -43.63 93.94 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.775 -1.203 . . . . 0.0 109.017 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.81 -20.85 62.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.317 -0.865 . . . . 0.0 109.092 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -81.56 -21.1 38.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.456 -0.777 . . . . 0.0 110.512 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.901 -1.279 . . . . 0.0 109.901 -179.861 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.447 ' CG ' ' H ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.215 -0.744 0 CA-C-O 121.257 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.447 ' H ' ' CG ' ' A' ' 1' ' ' LEU . 2.2 t -83.6 68.05 9.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.324 -0.86 . . . . 0.0 109.531 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -56.08 -31.16 62.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.227 -0.92 . . . . 0.0 108.941 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -71.92 -54.88 8.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 108.961 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.64 -42.75 70.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.357 -0.84 . . . . 0.0 109.206 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -52.61 -58.74 5.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.854 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.649 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.41 -36.41 32.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 0.0 109.991 -179.038 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 -28.99 66.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 110.3 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.83 -49.85 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 0.0 111.284 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.509 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.98 19.36 65.39 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.2 ptp -151.51 155.35 38.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -1.155 . . . . 0.0 109.388 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 p -70.89 155.28 41.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.264 -0.897 . . . . 0.0 109.52 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -54.95 -28.44 51.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.236 -0.915 . . . . 0.0 109.561 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.9 p -62.82 -44.6 95.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.113 -0.992 . . . . 0.0 108.893 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.76 60.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.382 -0.824 . . . . 0.0 109.057 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -58.96 -38.6 79.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.164 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -16.57 18.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.315 -0.865 . . . . 0.0 109.223 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.03 -32.39 73.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.153 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.682 HD13 HH21 ' A' ' 24' ' ' ARG . 60.1 mt -68.58 151.77 97.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.171 -0.955 . . . . 0.0 109.974 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -44.26 136.43 8.2 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.393 2.062 . . . . 0.0 112.139 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.9 mt -54.04 -46.83 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.545 -0.722 . . . . 0.0 110.891 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.524 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 37.8 p-90 -65.1 -36.29 83.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.016 -1.052 . . . . 0.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.682 HH21 HD13 ' A' ' 20' ' ' LEU . 3.1 ttp180 -67.38 -47.07 71.41 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.195 -0.941 . . . . 0.0 110.698 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.466 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 37.0 mt-30 -50.02 -44.44 51.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.007 -1.058 . . . . 0.0 109.798 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.02 -35.35 78.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 108.492 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -65.32 -51.7 58.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 109.508 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.72 -30.27 66.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 0.0 110.316 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.5 mtm180 -77.61 -46.47 22.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 110.554 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -64.36 -41.71 96.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.786 -1.196 . . . . 0.0 108.975 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.13 -18.99 62.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.151 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -90.49 -6.59 54.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.389 -0.819 . . . . 0.0 110.535 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.38 2.64 63.62 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.4 mt -109.97 160.7 16.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.175 -1.191 . . . . 0.0 109.589 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.527 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.786 0 CA-C-O 121.262 0.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.9 m -147.4 69.8 1.16 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.262 -0.899 . . . . 0.0 109.554 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.8 p30 -59.71 -34.01 72.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.283 -0.885 . . . . 0.0 108.861 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.1 tt0 -67.06 -48.74 67.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 108.891 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -75.52 -52.02 11.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 0.0 109.159 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 2' ' ' SER . 32.2 t80 -51.89 -59.27 4.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.4 HH21 HG22 ' A' ' 13' ' ' THR . 41.8 ttm180 -50.79 -36.42 36.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.293 -0.879 . . . . 0.0 110.009 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -28.01 65.87 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.279 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.63 -48.08 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.136 -0.978 . . . . 0.0 111.256 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.54 ' C ' ' SD ' ' A' ' 12' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.32 11.88 55.23 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.54 ' SD ' ' C ' ' A' ' 10' ' ' PF5 . 0.0 OUTLIER -144.33 164.43 30.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -1.163 . . . . 0.0 109.349 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.4 HG22 HH21 ' A' ' 7' ' ' ARG . 11.6 p -76.43 156.68 32.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -54.9 -27.74 45.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 0.0 109.501 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -56.13 -45.71 79.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 108.891 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 -46.28 35.58 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.819 . . . . 0.0 109.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -56.8 -35.47 68.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 109.187 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -17.79 10.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.4 -36.22 73.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.297 -0.877 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.71 HD13 HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.41 151.77 90.5 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.21 -0.931 . . . . 0.0 109.964 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -42.14 142.13 1.73 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.454 2.103 . . . . 0.0 112.064 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.29 -38.32 73.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.731 . . . . 0.0 110.787 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.411 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 44.7 p-90 -78.7 -29.82 45.71 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 110.522 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.71 HH21 HD13 ' A' ' 20' ' ' LEU . 4.8 ttp180 -70.88 -46.99 61.62 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.087 -1.008 . . . . 0.0 110.685 -178.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.528 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.9 pt20 -48.97 -42.56 38.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.948 -1.095 . . . . 0.0 109.863 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.43 ' CG ' HH21 ' A' ' 29' ' ' ARG . 94.4 mt-30 -64.98 -35.25 80.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.838 -1.164 . . . . 0.0 108.493 178.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -64.48 -52.88 55.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.49 -0.756 . . . . 0.0 109.467 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.2 mt -69.4 -32.09 70.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.528 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 83.5 mtm180 -76.48 -41.53 46.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.542 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.99 -34.55 76.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.798 -1.189 . . . . 0.0 109.039 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.22 -22.14 64.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.096 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -105.38 -0.37 26.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.803 . . . . 0.0 110.493 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.6 58.38 4.97 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 65.3 mt -133.02 -24.51 1.89 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.163 -1.198 . . . . 0.0 109.671 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 74.5 m-85 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.191 -0.943 . . . . 0.0 109.556 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 C--O 1.215 -0.718 0 CA-C-O 121.214 0.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -61.92 73.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.904 . . . . 0.0 109.545 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 1' ' ' LEU . 82.6 m-20 -61.39 -33.37 73.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.155 -0.965 . . . . 0.0 108.87 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -69.13 -52.13 31.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 108.981 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -69.14 -40.86 78.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.396 -0.815 . . . . 0.0 109.128 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -52.65 -59.19 4.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.337 -0.852 . . . . 0.0 109.888 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -50.59 -36.02 32.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.919 . . . . 0.0 109.938 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.37 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 0.0 110.327 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.1 t -73.75 -50.82 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.146 -0.971 . . . . 0.0 111.288 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.503 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.94 15.98 71.21 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.7 ptp -150.35 155.46 39.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.237 -1.155 . . . . 0.0 109.392 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -72.32 156.81 38.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.299 -0.876 . . . . 0.0 109.589 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.538 HH12 HD22 ' A' ' 1' ' ' LEU . 54.8 mtp180 -54.51 -28.42 45.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -62.25 -46.55 88.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.962 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.563 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . -74.93 -44.72 46.97 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.009 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' C ' HD22 ' A' ' 19' ' ' ASN . 52.0 t80 -56.53 -33.21 65.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.35 -0.844 . . . . 0.0 109.094 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.49 -5.44 1.2 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.25 -0.906 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.63 HD22 ' H ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -67.83 -30.88 70.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 110.179 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.666 HD13 HH21 ' A' ' 24' ' ' ARG . 16.4 mt -66.46 151.51 96.04 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.184 -0.947 . . . . 0.0 109.949 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -42.38 143.93 1.33 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.473 2.115 . . . . 0.0 112.082 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.32 -38.89 71.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.501 -0.749 . . . . 0.0 110.838 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.6 p-90 -79.79 -30.57 40.62 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.105 -0.997 . . . . 0.0 110.537 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.666 HH21 HD13 ' A' ' 20' ' ' LEU . 6.0 ttp180 -70.95 -47.39 59.25 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.111 -0.993 . . . . 0.0 110.672 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -48.4 -39.58 22.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.894 -1.129 . . . . 0.0 109.818 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.96 -36.66 82.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.873 -1.142 . . . . 0.0 108.51 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -62.25 -52.29 64.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.492 -0.755 . . . . 0.0 109.469 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.94 -31.91 71.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.298 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -79.1 -44.25 22.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.986 -1.071 . . . . 0.0 110.519 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.842 -1.162 . . . . 0.0 108.976 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.15 -17.39 63.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.029 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.38 -23.41 32.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 0.0 110.548 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.31 -0.45 68.57 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' O ' ' CG ' ' A' ' 35' ' ' PHE . 19.1 mt -93.9 -75.96 0.49 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.108 -1.231 . . . . 0.0 109.647 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 47.5 p90 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 109.508 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.431 ' CB ' HH22 ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.215 -0.752 0 CA-C-O 121.293 0.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.678 ' H ' ' NH2' ' A' ' 14' ' ' ARG . 30.7 p -143.81 71.51 1.33 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.255 -0.903 . . . . 0.0 109.577 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 33.9 p-10 -59.55 -32.25 70.16 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.23 -0.919 . . . . 0.0 108.953 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 6.5 tp10 -67.85 -50.28 57.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.459 -0.776 . . . . 0.0 108.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -74.59 -47.41 32.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.336 -0.852 . . . . 0.0 109.222 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -52.52 -59.78 4.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 109.817 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.71 -36.63 37.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 -178.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.77 -27.94 66.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.314 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.497 ' CG1' HH11 ' A' ' 32' ' ' ARG . 70.7 t -70.68 -47.76 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.137 -0.977 . . . . 0.0 111.244 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.521 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 89.67 13.08 61.67 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 17.1 ptp -146.06 163.27 35.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.173 -1.192 . . . . 0.0 109.391 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -76.8 158.33 30.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 109.579 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.678 ' NH2' ' H ' ' A' ' 2' ' ' SER . 95.5 mtt180 -54.41 -27.2 35.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.47 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -56.02 -47.1 78.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 0.0 108.957 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -45.82 42.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.394 -0.816 . . . . 0.0 108.993 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -57.4 -37.49 72.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.184 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.64 -12.44 1.82 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.241 -0.912 . . . . 0.0 109.27 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.87 -30.03 71.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.345 -0.847 . . . . 0.0 110.217 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.679 HD13 HH21 ' A' ' 24' ' ' ARG . 38.9 mt -72.4 152.49 92.03 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.18 -0.95 . . . . 0.0 109.996 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -44.28 134.73 8.91 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.536 2.158 . . . . 0.0 112.139 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.44 -45.89 56.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.586 -0.696 . . . . 0.0 110.842 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.57 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.6 p-90 -69.49 -41.09 76.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.056 -1.028 . . . . 0.0 110.517 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.679 HH21 HD13 ' A' ' 20' ' ' LEU . 4.3 ttp180 -60.94 -41.66 96.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.082 -1.011 . . . . 0.0 110.726 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.537 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 79.5 mt-30 -50.8 -42.36 58.05 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.983 -1.073 . . . . 0.0 109.868 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' OE1' ' NH2' ' A' ' 29' ' ' ARG . 15.6 mm100 -63.05 -38.42 91.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.856 -1.152 . . . . 0.0 108.509 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.21 -50.68 72.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.441 -0.787 . . . . 0.0 109.387 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -73.57 -31.71 63.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.403 -0.811 . . . . 0.0 110.242 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 86.2 mtm180 -79.15 -46.56 17.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.078 -1.014 . . . . 0.0 110.602 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.66 -35.51 80.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.725 -1.235 . . . . 0.0 109.002 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.19 -24.45 63.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 0.0 109.014 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.497 HH11 ' CG1' ' A' ' 9' ' ' VAL . 95.5 mtt180 -107.44 8.18 29.37 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.393 -0.817 . . . . 0.0 110.521 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.39 26.41 57.24 Favored Glycine 0 N--CA 1.493 2.477 0 C-N-CA 119.656 -1.259 . . . . 0.0 109.963 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.3 mt -123.56 155.72 37.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.133 -1.216 . . . . 0.0 109.692 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.489 1.476 0 O-C-N 121.192 -0.943 . . . . 0.0 109.471 -179.535 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.769 0 CA-C-O 121.326 0.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.2 m -81.5 66.86 7.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.197 -0.939 . . . . 0.0 109.487 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -56.3 -32.49 64.65 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.281 -0.887 . . . . 0.0 108.964 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.32 -53.46 29.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.324 -0.86 . . . . 0.0 108.948 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.59 -47.7 30.9 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.309 -0.87 . . . . 0.0 109.226 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 2' ' ' SER . 31.4 t80 -52.05 -59.75 3.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.312 -0.867 . . . . 0.0 109.813 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.653 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -50.74 -36.38 36.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 110.018 -178.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.08 68.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.254 -0.904 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.4 t -70.58 -46.26 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.046 -1.034 . . . . 0.0 111.272 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.543 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 89.13 15.7 58.68 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.8 ptp -145.24 162.35 37.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.18 -1.188 . . . . 0.0 109.476 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -75.16 154.99 37.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.637 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.42 ' NH2' ' CZ ' ' A' ' 35' ' ' PHE . 59.0 mtp180 -54.75 -28.06 45.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.226 -0.921 . . . . 0.0 109.477 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 m -57.78 -44.18 86.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 108.989 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -45.99 39.98 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.359 -0.838 . . . . 0.0 109.125 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -58.65 -36.64 74.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.862 . . . . 0.0 109.174 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.49 -17.46 13.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.298 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.488 HD22 ' N ' ' A' ' 19' ' ' ASN . 2.3 m120 -60.82 -33.55 73.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -0.846 . . . . 0.0 110.191 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.723 HD13 HH21 ' A' ' 24' ' ' ARG . 76.3 mt -66.22 151.56 95.51 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.112 -0.993 . . . . 0.0 110.0 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -44.27 140.32 5.77 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.493 2.129 . . . . 0.0 112.098 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.06 -39.16 74.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.567 -0.708 . . . . 0.0 110.821 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 36.2 p-90 -73.93 -29.06 61.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.999 -1.063 . . . . 0.0 110.481 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.723 HH21 HD13 ' A' ' 20' ' ' LEU . 4.4 ttp180 -73.89 -49.07 26.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.146 -0.971 . . . . 0.0 110.668 -178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.559 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.5 pt20 -48.64 -44.21 37.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.954 -1.091 . . . . 0.0 109.842 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG3' HH21 ' A' ' 29' ' ' ARG . 91.6 mt-30 -62.51 -35.62 79.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.938 -1.101 . . . . 0.0 108.551 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -65.5 -51.94 56.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.522 -0.736 . . . . 0.0 109.46 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.71 -32.06 69.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.461 -0.774 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.9 mtm180 -74.35 -44.72 51.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.03 -1.043 . . . . 0.0 110.61 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -68.92 -32.28 71.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.788 -1.195 . . . . 0.0 109.021 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.22 -24.03 64.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 0.0 108.979 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.531 HH11 ' HG2' ' A' ' 32' ' ' ARG . 67.8 mtt-85 -106.1 4.69 29.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.408 -0.808 . . . . 0.0 110.523 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.2 31.37 20.0 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 mt -125.82 140.2 52.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.096 -1.238 . . . . 0.0 109.675 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.42 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 71.0 m-85 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.183 -0.948 . . . . 0.0 109.548 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.257 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' A' ' 2' ' ' SER . 9.0 p -68.53 56.61 0.08 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.3 -0.875 . . . . 0.0 109.521 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' LEU . 84.5 m-20 -56.14 -33.3 65.06 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.157 -0.964 . . . . 0.0 108.857 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -67.56 -52.67 35.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 0.0 108.955 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.17 -43.64 81.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.408 -0.808 . . . . 0.0 109.25 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -53.89 -59.95 3.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 0.0 109.827 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.654 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -49.53 -34.54 17.6 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 0.0 110.014 -178.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.59 -27.45 65.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.198 -0.939 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.54 HG13 ' NH1' ' A' ' 32' ' ' ARG . 70.4 t -80.47 -49.72 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.236 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.493 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.57 20.37 79.57 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.0 ttp -149.78 161.7 41.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.175 -1.191 . . . . 0.0 109.38 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -78.79 151.49 31.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 0.0 109.606 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -60.2 -28.71 68.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.46 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p -58.62 -51.64 69.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -0.952 . . . . 0.0 108.912 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.73 -31.35 64.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.36 -0.837 . . . . 0.0 108.981 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -56.59 -33.69 66.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 109.186 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.99 -14.59 55.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.277 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.8 -34.23 77.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.393 -0.817 . . . . 0.0 110.191 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.69 HD13 HH21 ' A' ' 24' ' ' ARG . 43.5 mt -66.82 151.76 96.41 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.163 -0.961 . . . . 0.0 109.992 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -43.04 135.07 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.505 2.137 . . . . 0.0 112.088 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -51.29 -44.41 61.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.502 -0.749 . . . . 0.0 110.845 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.4 p-90 -69.46 -39.5 77.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.061 -1.025 . . . . 0.0 110.511 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.69 HH21 HD13 ' A' ' 20' ' ' LEU . 3.4 ttp180 -62.93 -43.78 97.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.072 -1.017 . . . . 0.0 110.767 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -50.7 -42.1 56.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.926 -1.109 . . . . 0.0 109.796 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ARG . 96.1 mt-30 -66.14 -36.96 84.51 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.83 -1.169 . . . . 0.0 108.499 178.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.79 -52.22 66.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.511 -0.743 . . . . 0.0 109.474 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.77 -32.57 71.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 0.0 110.275 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -83.42 -45.76 13.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.065 -1.022 . . . . 0.0 110.643 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' GLN . 40.0 ttm180 -60.35 -43.99 95.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.846 -1.159 . . . . 0.0 109.004 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.23 -14.77 57.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 0.0 109.096 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.668 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.08 -12.0 36.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.443 -0.786 . . . . 0.0 110.521 -179.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.47 -0.25 70.87 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.1 mt -106.25 162.54 13.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.148 -1.207 . . . . 0.0 109.608 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.232 -0.918 . . . . 0.0 109.562 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.725 0 CA-C-O 121.287 0.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.466 ' O ' ' OG ' ' A' ' 2' ' ' SER . 12.2 p -71.04 63.57 0.32 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.243 -0.911 . . . . 0.0 109.533 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -55.53 -32.91 63.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 108.872 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -69.44 -55.29 10.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 108.906 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.87 -43.13 75.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.288 -0.883 . . . . 0.0 109.207 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.631 ' CD2' ' NH1' ' A' ' 14' ' ' ARG . 51.8 t80 -51.38 -59.1 4.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.85 . . . . 0.0 109.835 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -50.0 -36.25 27.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.865 . . . . 0.0 109.984 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.3 66.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 0.0 110.262 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -72.96 -49.71 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.111 -0.993 . . . . 0.0 111.25 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.496 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.81 18.16 75.8 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.9 ptp -151.04 155.7 39.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -1.132 . . . . 0.0 109.453 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 p -73.42 157.8 36.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 109.568 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.631 ' NH1' ' CD2' ' A' ' 6' ' ' PHE . 82.4 mtt-85 -54.62 -28.4 46.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.19 -0.944 . . . . 0.0 109.475 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 m -62.33 -47.16 85.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.103 -0.998 . . . . 0.0 108.968 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.1 57.51 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.316 -0.865 . . . . 0.0 109.023 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -59.07 -38.48 79.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.314 -0.867 . . . . 0.0 109.189 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.62 -15.46 11.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.315 -0.865 . . . . 0.0 109.222 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.06 -33.74 74.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.152 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.739 HD13 HH21 ' A' ' 24' ' ' ARG . 61.9 mt -65.78 152.34 93.24 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 109.973 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -43.12 134.33 5.95 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.458 2.106 . . . . 0.0 112.128 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.9 tp -50.42 -45.11 55.54 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.606 -0.683 . . . . 0.0 110.799 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.554 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.8 p-90 -69.55 -40.24 76.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.018 -1.052 . . . . 0.0 110.484 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.739 HH21 HD13 ' A' ' 20' ' ' LEU . 3.6 ttp180 -61.69 -43.27 99.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.2 -0.937 . . . . 0.0 110.66 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 77.6 mt-30 -50.83 -42.2 58.28 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.009 -1.057 . . . . 0.0 109.928 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -64.47 -36.61 84.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.909 -1.119 . . . . 0.0 108.543 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -62.97 -51.55 66.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.473 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.6 mt -71.3 -29.83 65.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.38 -0.825 . . . . 0.0 110.292 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -79.3 -46.87 16.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.997 -1.064 . . . . 0.0 110.516 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -63.22 -40.99 99.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.787 -1.196 . . . . 0.0 108.981 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -62.66 -18.66 62.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 0.0 109.057 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HA ' ' HE ' ' A' ' 32' ' ' ARG . 1.4 tpm_? -95.84 -6.99 38.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.508 -0.745 . . . . 0.0 110.628 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.43 -2.21 80.43 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.1 mt -105.77 135.72 46.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.095 -1.238 . . . . 0.0 109.608 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 p90 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.516 -179.641 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.706 0 CA-C-O 121.262 0.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p 45.62 58.42 4.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.503 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -55.75 -35.24 65.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.152 -0.967 . . . . 0.0 108.913 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -67.05 -49.32 65.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.933 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.71 -42.52 86.22 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.34 -0.85 . . . . 0.0 109.21 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -56.48 -59.66 4.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.794 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.06 -35.29 24.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.996 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.57 -28.41 65.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.912 . . . . 0.0 110.305 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.86 -49.2 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.036 -1.04 . . . . 0.0 111.216 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.473 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.56 14.92 60.81 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.9 ptp -151.08 156.93 42.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.244 -1.151 . . . . 0.0 109.452 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 p -70.92 154.87 41.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.577 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -54.77 -28.39 48.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -0.894 . . . . 0.0 109.447 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.5 p -62.98 -46.89 85.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.0 108.919 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.78 -42.73 60.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.006 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.02 -38.94 80.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.182 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -16.5 10.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.275 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -62.67 -33.31 74.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.874 . . . . 0.0 110.198 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.701 HD13 HH21 ' A' ' 24' ' ' ARG . 69.9 mt -64.38 152.62 88.43 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.174 -0.954 . . . . 0.0 110.02 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.66 135.21 9.78 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.443 2.096 . . . . 0.0 112.127 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.66 -47.43 67.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.61 -0.681 . . . . 0.0 110.832 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 39.5 p-90 -64.37 -36.39 83.99 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.03 -1.044 . . . . 0.0 110.495 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.701 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -67.91 -46.37 71.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.084 -1.01 . . . . 0.0 110.683 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 20' ' ' LEU . 78.3 mt-30 -49.88 -45.77 50.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.997 -1.065 . . . . 0.0 109.817 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.76 -37.72 85.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.856 -1.152 . . . . 0.0 108.501 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -50.73 70.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.372 -0.83 . . . . 0.0 109.441 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.4 mt -73.4 -31.66 64.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.298 -0.876 . . . . 0.0 110.31 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -80.1 -48.02 13.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.953 -1.092 . . . . 0.0 110.621 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.14 -43.9 92.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.789 -1.195 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.71 -19.05 63.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.256 -0.903 . . . . 0.0 109.082 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -88.84 -20.97 23.96 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.461 -0.774 . . . . 0.0 110.492 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.27 -2.23 74.43 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.599 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 16.2 mt -98.41 -17.56 18.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.129 -1.218 . . . . 0.0 109.626 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 1.2 p90 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.238 -0.914 . . . . 0.0 109.531 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 C--O 1.215 -0.721 0 CA-C-O 121.256 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 3.6 t -62.56 74.35 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.212 -0.93 . . . . 0.0 109.523 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 1' ' ' LEU . 3.6 p30 -59.48 -30.99 68.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.215 -0.928 . . . . 0.0 108.917 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.56 -54.01 10.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 0.0 108.935 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -71.38 -41.84 69.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.85 . . . . 0.0 109.168 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' CB ' ' O ' ' A' ' 2' ' ' SER . 58.1 t80 -52.75 -59.06 4.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.389 -0.82 . . . . 0.0 109.858 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 13' ' ' THR . 42.7 ttm180 -50.35 -36.34 31.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 109.926 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.79 -27.85 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 110.337 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -75.04 -50.57 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.071 -1.018 . . . . 0.0 111.276 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.54 ' C ' ' SD ' ' A' ' 12' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.66 8.77 58.11 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.54 ' SD ' ' C ' ' A' ' 10' ' ' PF5 . 0.0 OUTLIER -142.47 166.8 23.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -1.123 . . . . 0.0 109.375 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.422 HG22 HH21 ' A' ' 7' ' ' ARG . 31.7 p -82.55 155.65 24.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -53.35 -28.64 29.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 109.487 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -65.59 -47.21 76.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.153 -0.967 . . . . 0.0 108.958 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.35 -44.43 45.14 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 0.0 109.007 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -56.95 -38.06 72.43 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.862 . . . . 0.0 109.183 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.28 22.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.266 -0.896 . . . . 0.0 109.244 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -61.96 -30.68 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.315 -0.865 . . . . 0.0 110.143 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.737 HD13 HH21 ' A' ' 24' ' ' ARG . 71.1 mt -66.51 151.85 95.65 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.217 -0.927 . . . . 0.0 109.965 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -42.92 136.73 4.7 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.445 2.097 . . . . 0.0 112.062 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -52.55 -43.03 64.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.556 -0.715 . . . . 0.0 110.837 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.543 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.3 p-90 -71.86 -39.37 69.73 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.122 -0.986 . . . . 0.0 110.472 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.737 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.91 -43.74 98.21 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.149 -0.969 . . . . 0.0 110.698 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -49.98 -42.37 48.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.028 -1.045 . . . . 0.0 109.868 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.677 HE21 ' NH2' ' A' ' 29' ' ' ARG . 96.8 mm-40 -62.79 -39.02 92.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.926 -1.109 . . . . 0.0 108.437 178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -60.77 -49.92 75.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.484 -0.76 . . . . 0.0 109.469 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 mt -73.44 -31.61 63.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 110.303 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.677 ' NH2' HE21 ' A' ' 26' ' ' GLN . 83.1 mtm180 -82.5 -46.85 12.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.098 -1.001 . . . . 0.0 110.558 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.05 -43.58 95.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.909 -1.119 . . . . 0.0 109.035 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -64.72 -14.25 57.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -0.872 . . . . 0.0 109.048 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.97 -11.27 36.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.497 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.32 2.75 70.29 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.8 mt -108.78 161.62 14.94 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.097 -1.237 . . . . 0.0 109.588 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.226 -0.921 . . . . 0.0 109.538 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.781 0 CA-C-O 121.302 0.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.463 ' O ' ' OG ' ' A' ' 2' ' ' SER . 17.7 p 46.03 64.43 1.48 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.255 -0.903 . . . . 0.0 109.439 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -55.57 -33.71 64.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.19 -0.944 . . . . 0.0 108.892 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -70.38 -51.92 26.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 108.91 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.56 -44.88 69.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.416 -0.803 . . . . 0.0 109.203 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.74 -59.31 5.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 0.0 109.795 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -50.07 -36.02 27.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.75 67.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.941 . . . . 0.0 110.305 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.53 -49.74 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 111.214 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.535 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.94 21.14 22.65 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.9 ttm -143.33 158.81 43.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -1.172 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -77.54 150.9 34.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.512 ' HG3' HH11 ' A' ' 14' ' ' ARG . 45.0 mtm-85 -57.15 -29.98 64.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 109.426 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.7 p -68.46 -47.07 68.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.0 108.966 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.14 63.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.337 -0.852 . . . . 0.0 109.089 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.23 -39.58 79.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.298 -0.876 . . . . 0.0 109.208 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -17.33 25.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.203 -0.936 . . . . 0.0 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -62.55 -35.88 80.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.366 -0.833 . . . . 0.0 110.224 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.721 HD22 ' NH2' ' A' ' 24' ' ' ARG . 82.5 mt -55.78 152.04 20.95 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.153 -0.967 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -42.75 142.32 2.12 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.475 2.116 . . . . 0.0 112.101 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 tp -57.3 -37.46 72.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.496 -0.753 . . . . 0.0 110.813 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.456 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 46.5 p-90 -79.09 -32.87 44.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.039 -1.038 . . . . 0.0 110.517 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.721 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.7 ttp180 -68.7 -49.55 58.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 110.7 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.61 HE21 ' NH2' ' A' ' 29' ' ' ARG . 15.4 pt20 -48.37 -40.54 25.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.98 -1.075 . . . . 0.0 109.817 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' CG ' HH21 ' A' ' 29' ' ' ARG . 92.0 mt-30 -65.99 -35.44 80.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 108.507 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.4 -52.65 57.13 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.486 -0.759 . . . . 0.0 109.468 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.7 mt -69.04 -32.09 71.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 110.299 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.61 ' NH2' HE21 ' A' ' 25' ' ' GLN . 82.4 mtm180 -75.39 -45.59 38.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.002 . . . . 0.0 110.618 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -68.73 -33.9 74.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.785 -1.197 . . . . 0.0 109.0 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -52.6 -26.75 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.195 -0.941 . . . . 0.0 109.051 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.696 HH11 ' HG2' ' A' ' 32' ' ' ARG . 13.6 mtt-85 -107.8 -2.25 20.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.501 -0.749 . . . . 0.0 110.525 -178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.9 -4.39 57.68 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.4 mt -98.96 129.53 45.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.136 -1.214 . . . . 0.0 109.604 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.9 p90 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.178 -0.951 . . . . 0.0 109.549 -179.546 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.4 ' O ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.214 -0.766 0 CA-C-O 121.278 0.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.577 ' O ' ' N ' ' A' ' 6' ' ' PHE . 2.9 p 46.45 34.15 2.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.266 -0.896 . . . . 0.0 109.486 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -55.05 -32.28 61.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 108.908 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -77.96 -57.16 3.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.391 -0.818 . . . . 0.0 108.955 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.65 -39.05 93.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.379 -0.826 . . . . 0.0 109.229 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 2' ' ' SER . 58.2 t80 -56.94 -59.46 5.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.341 -0.849 . . . . 0.0 109.838 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -49.81 -34.81 20.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 109.977 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -28.68 64.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.215 -0.928 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t -76.51 -49.48 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.102 -0.999 . . . . 0.0 111.19 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.469 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.91 29.76 64.53 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.1 ptm -163.51 155.39 17.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -1.157 . . . . 0.0 109.445 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -70.9 153.58 42.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 109.585 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.487 ' HG3' HH11 ' A' ' 14' ' ' ARG . 49.5 mtm-85 -55.23 -28.84 56.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 109.447 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -63.15 -44.36 95.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.222 -0.923 . . . . 0.0 108.878 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.39 -39.29 62.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.404 -0.81 . . . . 0.0 109.068 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.51 -35.35 75.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 109.154 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -15.54 25.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.262 -0.899 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.38 -32.63 72.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.264 -0.897 . . . . 0.0 110.217 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HH21 ' A' ' 24' ' ' ARG . 78.2 mt -67.72 152.44 96.31 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.92 . . . . 0.0 109.932 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -43.59 133.22 7.42 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.473 2.115 . . . . 0.0 112.16 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.1 tt -48.17 -53.24 17.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.515 -0.74 . . . . 0.0 110.834 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 52.3 p-90 -61.74 -41.73 98.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.015 -1.053 . . . . 0.0 110.497 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.735 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -60.93 -44.21 97.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.191 -0.943 . . . . 0.0 110.662 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 77.2 mt-30 -50.7 -42.33 56.92 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.891 -1.131 . . . . 0.0 109.816 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.636 HE21 ' NH2' ' A' ' 29' ' ' ARG . 91.3 mm-40 -65.66 -36.23 83.06 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.845 -1.159 . . . . 0.0 108.492 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -62.28 -52.53 63.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.564 -0.71 . . . . 0.0 109.453 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -70.35 -31.4 68.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.291 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.636 ' NH2' HE21 ' A' ' 26' ' ' GLN . 85.7 mtm180 -79.45 -41.29 27.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.048 -1.033 . . . . 0.0 110.519 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -62.83 -45.04 94.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.778 -1.201 . . . . 0.0 109.01 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.1 -17.34 62.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 109.074 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -86.11 -23.0 26.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.431 -0.793 . . . . 0.0 110.503 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.35 4.99 67.78 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.5 mt -103.83 162.92 12.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.116 -1.226 . . . . 0.0 109.606 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.196 -0.94 . . . . 0.0 109.49 179.878 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.216 -0.681 0 CA-C-O 121.287 0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' LEU . 3.4 t 44.71 68.96 0.48 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.219 -0.926 . . . . 0.0 109.488 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -56.06 -31.68 63.4 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 0.0 108.851 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -71.8 -53.01 14.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 108.94 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -69.54 -42.75 74.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.409 -0.807 . . . . 0.0 109.25 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.98 -58.8 5.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.354 -0.841 . . . . 0.0 109.839 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.666 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.24 -36.72 32.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.974 -178.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.1 67.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.944 . . . . 0.0 110.325 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -72.02 -49.93 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.099 -1.0 . . . . 0.0 111.24 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.516 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 78.54 25.28 61.18 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 ptm -158.23 153.82 26.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.233 -1.157 . . . . 0.0 109.431 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.96 155.47 40.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.229 -0.919 . . . . 0.0 109.616 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -54.33 -28.63 43.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.529 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.4 m -61.26 -45.35 94.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 108.901 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' OD1' ' A' ' 19' ' ' ASN . . . -73.99 -44.06 55.96 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.284 -0.885 . . . . 0.0 108.982 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' C ' ' H ' ' A' ' 19' ' ' ASN . 43.8 t80 -56.9 -33.22 66.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.192 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.13 -1.75 1.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 16' ' ' ALA . 26.3 p-10 -73.35 -24.59 60.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.379 -0.826 . . . . 0.0 110.218 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HH21 ' A' ' 24' ' ' ARG . 11.1 mt -76.73 153.73 83.29 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.17 -0.957 . . . . 0.0 109.966 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.41 137.19 8.23 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.463 2.109 . . . . 0.0 112.109 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.8 tp -51.98 -44.41 64.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.532 -0.73 . . . . 0.0 110.845 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.535 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.5 p-90 -71.62 -38.76 70.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 110.455 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.735 HH21 HD13 ' A' ' 20' ' ' LEU . 6.4 ttp180 -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.175 -0.953 . . . . 0.0 110.707 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -50.07 -41.46 47.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.033 -1.042 . . . . 0.0 109.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.65 -37.37 87.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.834 -1.166 . . . . 0.0 108.479 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -62.42 -52.1 64.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.442 -0.786 . . . . 0.0 109.453 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.21 -30.45 67.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.324 -0.86 . . . . 0.0 110.325 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -80.1 -42.88 22.75 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.045 -1.035 . . . . 0.0 110.525 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -65.4 -42.27 92.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.759 -1.213 . . . . 0.0 108.963 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.6 -16.0 59.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 109.107 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 32' ' ' ARG . 1.5 tpm_? -97.0 -6.81 34.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.417 -0.802 . . . . 0.0 110.551 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.53 -2.5 77.62 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.6 mt -106.22 136.31 46.15 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.073 -1.251 . . . . 0.0 109.626 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.25 -0.906 . . . . 0.0 109.528 -179.69 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.223 0.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -65.54 67.85 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 109.504 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 34.3 p-10 -59.75 -32.39 70.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.207 -0.933 . . . . 0.0 108.861 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.5 tt0 -69.86 -52.4 25.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.001 179.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -72.45 -44.04 62.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.174 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.08 -59.06 5.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.844 . . . . 0.0 109.85 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.04 -34.8 22.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.931 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.53 -29.92 66.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.15 -0.969 . . . . 0.0 110.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.455 HG12 HH11 ' A' ' 32' ' ' ARG . 73.1 t -75.85 -51.12 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.157 -0.965 . . . . 0.0 111.277 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.518 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.41 17.43 1.9 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.461 ' N ' ' C ' ' A' ' 10' ' ' PF5 . 2.4 tpp -141.16 160.61 39.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.216 -1.167 . . . . 0.0 109.384 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 p -83.81 154.86 23.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.599 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -53.41 -28.82 31.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.425 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 t -66.55 -46.73 75.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 108.982 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.5 -43.99 46.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.377 -0.827 . . . . 0.0 109.012 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -56.85 -34.69 68.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.9 . . . . 0.0 109.19 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -14.2 39.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.341 -0.85 . . . . 0.0 109.263 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -61.93 -33.27 73.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.366 -0.834 . . . . 0.0 110.173 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.741 HD13 HH21 ' A' ' 24' ' ' ARG . 81.4 mt -65.63 152.49 92.6 Favored Pre-proline 0 N--CA 1.496 1.865 0 O-C-N 121.174 -0.954 . . . . 0.0 110.024 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -43.06 135.0 5.68 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.429 2.086 . . . . 0.0 112.175 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -50.52 -44.73 56.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.585 -0.697 . . . . 0.0 110.819 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 53.4 p-90 -69.88 -40.58 75.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.741 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.111 -0.993 . . . . 0.0 110.645 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 78.6 mt-30 -50.62 -41.85 55.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.097 -1.002 . . . . 0.0 109.822 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HG3' HH21 ' A' ' 29' ' ' ARG . 95.1 mt-30 -66.42 -36.33 82.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.121 . . . . 0.0 108.479 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.77 -52.24 65.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.501 -0.749 . . . . 0.0 109.433 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 mt -69.14 -31.26 69.81 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.887 . . . . 0.0 110.286 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.479 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 86.8 mtm180 -75.82 -38.49 58.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.589 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -70.17 -36.71 74.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.764 -1.21 . . . . 0.0 109.026 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -56.22 -23.38 35.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 109.082 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.455 HH11 HG12 ' A' ' 9' ' ' VAL . 97.2 mtt180 -111.01 -3.63 15.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.477 -0.764 . . . . 0.0 110.5 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.87 66.19 2.97 Favored Glycine 0 N--CA 1.493 2.442 0 C-N-CA 119.672 -1.252 . . . . 0.0 109.983 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 30.3 mt -132.39 -3.03 3.43 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.134 -1.215 . . . . 0.0 109.647 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 34' ' ' LEU . 95.5 m-85 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.303 -0.873 . . . . 0.0 109.493 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.452 ' CD1' HH12 ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.215 -0.757 0 CA-C-O 121.266 0.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 2' ' ' SER . 8.5 p -69.75 55.67 0.13 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.265 -0.897 . . . . 0.0 109.501 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' LEU . 85.6 m-20 -55.04 -32.99 62.31 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.0 108.926 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -67.93 -52.72 32.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 108.888 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -66.77 -42.17 86.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.84 . . . . 0.0 109.186 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -55.2 -60.07 3.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.371 -0.831 . . . . 0.0 109.833 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -49.32 -34.32 15.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.945 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -27.63 65.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.0 t -80.19 -48.86 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.044 -1.035 . . . . 0.0 111.194 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.502 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.2 23.2 74.69 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 16' ' ' ALA . 44.7 ttp -153.95 159.1 41.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -1.162 . . . . 0.0 109.364 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.6 p -76.1 152.19 36.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.887 . . . . 0.0 109.608 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.452 HH12 ' CD1' ' A' ' 1' ' ' LEU . 74.0 mtm180 -60.32 -28.35 68.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.229 -0.919 . . . . 0.0 109.484 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.0 p -58.38 -50.59 73.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.132 -0.98 . . . . 0.0 108.974 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB3' ' SD ' ' A' ' 12' ' ' MET . . . -74.12 -30.01 62.1 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.386 -0.821 . . . . 0.0 109.043 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -57.65 -36.52 71.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.228 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.35 -14.75 29.72 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.301 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.561 HD22 ' N ' ' A' ' 19' ' ' ASN . 2.0 m120 -63.88 -33.14 75.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.236 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.698 HD13 HH21 ' A' ' 24' ' ' ARG . 48.6 mt -68.28 152.05 96.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.138 -0.976 . . . . 0.0 109.927 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -43.58 133.7 7.28 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.48 2.12 . . . . 0.0 112.095 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.3 tt -48.1 -54.28 13.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.563 -0.711 . . . . 0.0 110.795 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 54.0 p-90 -60.91 -42.16 97.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.017 -1.052 . . . . 0.0 110.498 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.698 HH21 HD13 ' A' ' 20' ' ' LEU . 3.2 ttp180 -60.86 -43.43 98.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.085 -1.01 . . . . 0.0 110.668 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -50.52 -42.2 54.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.956 -1.09 . . . . 0.0 109.804 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' ARG . 93.0 mt-30 -66.95 -37.14 83.74 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.907 -1.121 . . . . 0.0 108.509 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.05 -52.02 67.13 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.499 -0.751 . . . . 0.0 109.434 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -31.86 68.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.313 -0.867 . . . . 0.0 110.28 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -83.39 -48.06 10.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.056 -1.028 . . . . 0.0 110.564 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.462 ' HG3' HH11 ' A' ' 30' ' ' ARG . 50.9 ttm-85 -59.29 -44.1 92.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.826 -1.171 . . . . 0.0 108.997 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 31' ' ' GLU . 13.4 tm-20 -60.04 -22.17 62.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.046 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -80.68 -21.76 41.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.399 -0.813 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.74 -4.69 66.25 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.537 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 68.4 mt -88.59 -5.55 58.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.095 -1.238 . . . . 0.0 109.635 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 60.3 m-85 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.192 -0.943 . . . . 0.0 109.513 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.418 HD23 HH12 ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.77 0 CA-C-O 121.209 0.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 6' ' ' PHE . 13.1 m 46.68 31.88 1.54 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.311 -0.868 . . . . 0.0 109.516 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -56.11 -31.74 63.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.214 -0.929 . . . . 0.0 108.924 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -76.76 -56.77 4.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.31 -0.869 . . . . 0.0 108.956 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -64.51 -39.2 93.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 109.2 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 2' ' ' SER . 37.9 t80 -57.65 -60.11 4.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.321 -0.862 . . . . 0.0 109.884 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.665 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -50.37 -36.17 31.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 110.037 -178.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.82 70.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.234 -0.916 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.5 t -72.08 -47.34 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.036 -1.04 . . . . 0.0 111.225 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.562 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 85.18 18.73 60.28 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptm -148.4 158.66 44.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.214 -1.168 . . . . 0.0 109.418 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -73.38 154.54 40.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.608 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.418 HH12 HD23 ' A' ' 1' ' ' LEU . 52.4 mtp180 -54.43 -28.5 44.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.511 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.7 m -60.79 -44.84 96.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.046 -1.034 . . . . 0.0 108.909 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.31 58.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.409 -0.807 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -58.57 -37.12 75.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.865 . . . . 0.0 109.14 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -16.43 8.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.315 -0.866 . . . . 0.0 109.333 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.39 -31.5 70.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -0.8 . . . . 0.0 110.207 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.73 HD13 HH21 ' A' ' 24' ' ' ARG . 79.7 mt -69.94 152.03 96.04 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.219 -0.926 . . . . 0.0 109.977 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -43.29 136.18 5.77 Favored 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 122.457 2.105 . . . . 0.0 112.139 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -52.56 -43.75 65.44 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.497 -0.752 . . . . 0.0 110.815 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.552 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 50.1 p-90 -71.48 -39.8 70.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.046 -1.034 . . . . 0.0 110.472 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.73 HH21 HD13 ' A' ' 20' ' ' LEU . 3.7 ttp180 -61.38 -43.04 99.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.123 -0.986 . . . . 0.0 110.683 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.551 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 39.4 mt-30 -50.83 -41.94 58.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.005 -1.06 . . . . 0.0 109.846 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.88 -38.7 91.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 108.563 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.44 -52.15 65.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.432 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.37 -32.14 68.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.354 -0.841 . . . . 0.0 110.287 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.551 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.6 mtm180 -78.35 -42.45 30.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 110.592 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.61 -39.17 91.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 108.957 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.52 -20.54 56.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.9 . . . . 0.0 108.998 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.597 ' HG2' HH11 ' A' ' 32' ' ' ARG . 40.2 mtt-85 -111.72 8.83 20.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.367 -0.833 . . . . 0.0 110.492 -178.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.9 47.18 14.62 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' O ' ' CG ' ' A' ' 35' ' ' PHE . 77.7 mt -144.3 9.72 1.44 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.131 -1.217 . . . . 0.0 109.576 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 23.6 p90 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.53 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . 0 C--O 1.216 -0.703 0 CA-C-O 121.263 0.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 6' ' ' PHE . 3.1 p 46.79 35.41 3.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 109.475 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 14' ' ' ARG . 7.0 m-20 -56.32 -32.66 64.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 108.905 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -77.94 -56.92 4.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 108.949 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -62.5 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.421 -0.799 . . . . 0.0 109.235 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 2' ' ' SER . 50.3 t80 -56.74 -59.2 5.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.868 . . . . 0.0 109.777 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -50.29 -33.19 19.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.32 -29.46 63.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.546 HG13 ' NH1' ' A' ' 32' ' ' ARG . 72.2 t -73.77 -50.26 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.114 -0.992 . . . . 0.0 111.189 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.483 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.65 21.14 72.75 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.6 ptp -154.79 154.36 32.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -1.125 . . . . 0.0 109.498 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 p -69.42 154.51 41.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.328 -0.857 . . . . 0.0 109.581 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' A' ' 3' ' ' ASP . 47.8 mtm-85 -54.69 -28.54 48.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.885 . . . . 0.0 109.5 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 m -62.28 -47.37 84.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 0.0 108.939 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.81 66.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.339 -0.851 . . . . 0.0 109.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -59.27 -38.84 81.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 109.14 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.13 -16.63 20.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 109.238 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -63.84 -35.23 79.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 0.0 110.169 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.693 HD13 HH21 ' A' ' 24' ' ' ARG . 48.5 mt -62.45 152.95 78.73 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.158 -0.964 . . . . 0.0 110.002 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -43.85 135.7 7.44 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.477 2.118 . . . . 0.0 112.109 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.92 -47.85 67.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.589 -0.694 . . . . 0.0 110.861 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.522 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 43.1 p-90 -63.82 -36.91 85.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.096 -1.003 . . . . 0.0 110.556 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.693 HH21 HD13 ' A' ' 20' ' ' LEU . 3.1 ttp180 -67.58 -45.98 73.99 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.138 -0.976 . . . . 0.0 110.677 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 25.7 mt-30 -51.54 -45.66 63.07 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.063 -1.023 . . . . 0.0 109.811 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.23 -33.43 75.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.898 -1.126 . . . . 0.0 108.512 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.91 -52.22 57.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.501 -0.75 . . . . 0.0 109.431 179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.58 -31.37 68.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.407 -0.808 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 85.1 mtm180 -75.71 -42.46 50.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 110.641 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -63.2 -44.73 94.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.853 -1.155 . . . . 0.0 109.006 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.24 -15.64 60.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.902 . . . . 0.0 109.011 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.677 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.0 OUTLIER -89.75 -22.69 22.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 110.578 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.88 3.3 66.06 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 mt -104.06 160.04 15.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.163 -1.198 . . . . 0.0 109.64 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.241 -0.912 . . . . 0.0 109.497 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.496 HD23 HH12 ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.216 -0.709 0 CA-C-O 121.255 0.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 12.5 m 46.27 34.62 2.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.908 . . . . 0.0 109.442 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 29.4 p-10 -56.59 -31.85 64.67 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.135 -0.978 . . . . 0.0 108.916 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 36.2 tp10 -79.39 -56.01 4.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.332 -0.855 . . . . 0.0 108.948 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.55 -39.14 93.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 2' ' ' SER . 45.0 t80 -59.38 -59.42 5.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.355 -0.841 . . . . 0.0 109.874 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.666 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -50.8 -36.65 38.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.881 . . . . 0.0 109.972 -178.73 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.72 68.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.0 110.34 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.7 t -72.98 -49.69 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.964 . . . . 0.0 111.284 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.566 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ARG . . . 78.33 21.61 69.65 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 ptp -151.56 157.61 42.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.154 -1.203 . . . . 0.0 109.449 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -74.09 156.23 37.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.564 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.496 HH12 HD23 ' A' ' 1' ' ' LEU . 52.4 mtp180 -54.67 -28.51 47.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.923 . . . . 0.0 109.47 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -61.6 -48.97 78.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.183 -0.948 . . . . 0.0 108.912 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.73 -42.64 67.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.355 -0.84 . . . . 0.0 108.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -58.53 -37.69 76.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.17 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -16.66 12.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.299 -0.876 . . . . 0.0 109.283 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.33 -36.02 74.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.697 HD22 ' NH2' ' A' ' 24' ' ' ARG . 61.7 mt -61.61 151.78 77.0 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.181 -0.949 . . . . 0.0 109.981 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -42.0 144.3 1.03 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.481 2.121 . . . . 0.0 112.136 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.58 -38.15 77.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.577 -0.702 . . . . 0.0 110.8 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.435 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 45.9 p-90 -79.53 -31.46 42.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.065 -1.022 . . . . 0.0 110.548 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.697 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.9 ttp180 -70.43 -48.34 56.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.083 -1.011 . . . . 0.0 110.643 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.556 HE21 ' NH2' ' A' ' 29' ' ' ARG . 15.3 pt20 -48.3 -39.91 23.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.045 -1.034 . . . . 0.0 109.816 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.41 ' HG3' HH21 ' A' ' 29' ' ' ARG . 96.4 mt-30 -67.0 -38.06 85.31 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.862 -1.149 . . . . 0.0 108.548 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -51.43 68.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.457 -0.777 . . . . 0.0 109.483 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.39 -31.2 69.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.297 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.556 ' NH2' HE21 ' A' ' 25' ' ' GLN . 81.3 mtm180 -75.25 -46.37 34.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.041 -1.037 . . . . 0.0 110.576 -178.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -65.97 -33.62 76.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.799 -1.188 . . . . 0.0 108.98 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.3 -24.88 60.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.288 -0.883 . . . . 0.0 109.038 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -109.06 -10.3 15.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.473 -0.767 . . . . 0.0 110.532 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.27 9.08 85.79 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 mt -112.56 139.84 47.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.089 -1.242 . . . . 0.0 109.632 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.6 p90 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.211 -0.931 . . . . 0.0 109.538 -179.555 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.793 0 CA-C-O 121.372 0.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.47 ' O ' ' OG ' ' A' ' 2' ' ' SER . 23.4 p -141.76 68.49 1.33 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.514 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -58.13 -32.93 68.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 108.9 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -66.52 -50.36 63.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.408 -0.808 . . . . 0.0 108.95 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -75.24 -49.7 18.49 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -53.29 -58.95 5.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.412 HH21 HG22 ' A' ' 13' ' ' THR . 41.9 ttm180 -50.56 -36.24 33.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.261 -0.899 . . . . 0.0 109.983 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.06 65.96 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.63 -51.19 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.505 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.77 26.27 56.59 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.3 ptm -157.87 157.45 33.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.156 -1.203 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.412 HG22 HH21 ' A' ' 7' ' ' ARG . 22.6 p -72.8 154.02 40.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 109.561 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -54.15 -28.17 38.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.544 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 t -60.74 -46.57 89.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 108.964 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -43.0 63.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.389 -0.819 . . . . 0.0 109.034 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.45 -35.76 74.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.251 -0.906 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -17.22 23.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.229 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -59.3 -34.93 72.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.384 -0.823 . . . . 0.0 110.139 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.703 HD22 ' NH2' ' A' ' 24' ' ' ARG . 76.2 mt -63.82 151.67 88.52 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.118 -0.989 . . . . 0.0 109.923 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -42.22 141.41 2.03 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.458 2.105 . . . . 0.0 112.123 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.55 -37.66 70.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.568 -0.707 . . . . 0.0 110.84 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 47.7 p-90 -78.64 -30.96 46.68 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 110.482 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.703 ' NH2' HD22 ' A' ' 20' ' ' LEU . 4.7 ttp180 -69.8 -46.57 65.42 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.018 -1.051 . . . . 0.0 110.729 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.505 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.8 pt20 -48.82 -40.8 30.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.015 -1.053 . . . . 0.0 109.798 -179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.4 -37.16 84.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.836 -1.165 . . . . 0.0 108.503 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 18.7 t-20 -62.27 -51.26 68.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.441 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -71.09 -31.18 67.48 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.37 -0.831 . . . . 0.0 110.29 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HE ' ' C ' ' A' ' 25' ' ' GLN . 84.1 mtm180 -79.45 -44.24 21.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.054 -1.029 . . . . 0.0 110.579 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -61.03 -42.01 97.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.023 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 2.3 mp0 -64.92 -14.38 59.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 109.056 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.585 ' CA ' ' HE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -91.3 -16.06 28.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 110.527 -178.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.54 -2.88 81.18 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 73.5 mt -85.72 -10.99 54.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.12 -1.224 . . . . 0.0 109.614 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 50.5 m-85 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.292 -0.88 . . . . 0.0 109.51 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 121.324 0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.3 m -63.43 72.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.508 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 2.9 p30 -59.9 -31.79 70.14 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.234 -0.916 . . . . 0.0 108.932 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 74.2 tt0 -69.5 -54.41 14.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.92 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -72.36 -44.15 62.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.402 -0.811 . . . . 0.0 109.191 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CE2' ' NE ' ' A' ' 14' ' ' ARG . 55.4 t80 -52.12 -60.56 3.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.792 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -49.53 -34.46 17.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.08 66.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 110.311 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t -73.76 -48.69 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.021 . . . . 0.0 111.245 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.533 ' C ' ' SD ' ' A' ' 12' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.9 7.99 55.96 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.533 ' SD ' ' C ' ' A' ' 10' ' ' PF5 . 0.0 OUTLIER -144.01 169.9 16.96 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 179.681 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 p -83.34 159.45 21.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.869 . . . . 0.0 109.585 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.759 HH12 HH11 ' A' ' 29' ' ' ARG . 24.6 mmt180 -53.81 -26.8 25.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.283 -0.886 . . . . 0.0 109.5 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -55.82 -48.15 75.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.123 -0.985 . . . . 0.0 108.947 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.73 -49.27 18.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.0 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -56.65 -36.08 69.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.31 -0.868 . . . . 0.0 109.186 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -16.93 18.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.246 -0.909 . . . . 0.0 109.339 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -60.1 -33.94 72.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.34 -0.85 . . . . 0.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.731 HD13 HH21 ' A' ' 24' ' ' ARG . 80.1 mt -65.48 152.15 92.92 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.217 -0.927 . . . . 0.0 109.967 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -42.85 144.03 1.56 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.521 2.147 . . . . 0.0 112.084 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.27 -37.09 76.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.519 -0.738 . . . . 0.0 110.771 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.439 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 49.6 p-90 -78.84 -32.14 46.0 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.02 -1.05 . . . . 0.0 110.535 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.731 HH21 HD13 ' A' ' 20' ' ' LEU . 4.7 ttp180 -67.57 -45.88 74.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.12 -0.988 . . . . 0.0 110.696 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.564 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 6.2 pt20 -48.89 -42.79 37.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.962 -1.086 . . . . 0.0 109.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.428 ' CG ' HH21 ' A' ' 29' ' ' ARG . 81.5 mt-30 -63.61 -36.07 82.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.826 -1.171 . . . . 0.0 108.486 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.87 -52.2 61.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.536 -0.728 . . . . 0.0 109.425 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.11 -32.02 68.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.32 -0.863 . . . . 0.0 110.226 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.759 HH11 HH12 ' A' ' 14' ' ' ARG . 84.2 mtm180 -76.36 -41.94 46.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.04 -1.038 . . . . 0.0 110.559 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -66.91 -35.33 79.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.771 -1.206 . . . . 0.0 109.003 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.16 -25.6 47.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 109.109 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.661 HH11 ' CG ' ' A' ' 32' ' ' ARG . 4.8 mtt-85 -105.71 2.24 27.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.399 -0.813 . . . . 0.0 110.603 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.27 1.74 90.45 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.569 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 14.6 mt -89.05 -29.86 19.12 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.112 -1.228 . . . . 0.0 109.629 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 21.0 p90 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.258 0.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 6' ' ' PHE . 2.3 m -148.04 73.47 1.26 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.238 -0.914 . . . . 0.0 109.537 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 4' ' ' GLU . 27.7 p-10 -59.82 -32.76 70.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 0.0 108.929 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.522 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 35.8 tp10 -70.24 -50.59 38.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.284 -0.885 . . . . 0.0 108.948 179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.14 -47.29 36.98 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 109.231 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 2' ' ' SER . 41.3 t80 -51.12 -58.36 6.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.271 -0.893 . . . . 0.0 109.791 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.08 -38.25 50.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.226 -0.922 . . . . 0.0 109.937 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.96 -27.63 66.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.316 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.8 t -72.66 -53.09 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.08 -1.013 . . . . 0.0 111.201 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PF5 . . . . . 0.552 ' CD1' ' H ' ' A' ' 10' ' ' PF5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.37 18.27 79.26 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 tpp -143.58 157.71 44.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.238 -1.154 . . . . 0.0 109.442 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.3 p -77.68 152.43 33.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.599 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -53.49 -29.07 34.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 109.452 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -67.12 -45.62 76.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.43 -35.45 63.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.388 -0.82 . . . . 0.0 109.054 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -59.07 -34.77 72.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.253 -0.904 . . . . 0.0 109.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -9.24 5.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 0.0 109.23 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.74 -32.73 74.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.806 . . . . 0.0 110.228 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.507 HD22 HH21 ' A' ' 24' ' ' ARG . 6.4 mt -71.21 153.77 94.13 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.128 -0.982 . . . . 0.0 109.934 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -44.21 132.96 9.05 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.481 2.121 . . . . 0.0 112.135 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -50.56 -44.74 56.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.513 -0.742 . . . . 0.0 110.821 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.566 ' CD2' ' N ' ' A' ' 24' ' ' ARG . 51.0 p-90 -70.38 -41.02 73.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.099 -1.001 . . . . 0.0 110.471 -179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.566 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 28.9 ttp180 -62.58 -41.59 99.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.125 -0.984 . . . . 0.0 110.662 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -49.16 -40.83 34.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.002 -1.061 . . . . 0.0 109.766 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.6 -38.22 90.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.865 -1.147 . . . . 0.0 108.505 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -60.54 -49.38 77.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.74 . . . . 0.0 109.446 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -72.49 -31.74 65.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 0.0 110.302 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -82.56 -50.13 9.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.033 . . . . 0.0 110.579 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HG3' HH11 ' A' ' 30' ' ' ARG . 51.5 ttm-85 -59.68 -43.63 93.94 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.775 -1.203 . . . . 0.0 109.017 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.81 -20.85 62.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.317 -0.865 . . . . 0.0 109.092 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -81.56 -21.1 38.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.456 -0.777 . . . . 0.0 110.512 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.98 -3.7 70.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.901 -1.279 . . . . 0.0 109.901 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 68.8 mt -89.73 -4.56 57.63 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.097 -1.237 . . . . 0.0 109.607 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 62.3 m-85 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.462 -179.954 . . . . . . . . 1 1 . 1 stop_ save_