data_2l3a_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 2l3a _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 ' 8' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.447 -0.576 0 CA-C-O 121.149 0.5 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -106.29 126.5 52.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.562 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -142.57 133.44 25.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.546 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.0 mt -90.14 99.78 10.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.054 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.87 -20.59 30.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.998 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -139.94 115.43 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.204 0.526 . . . . 0.0 111.352 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -95.08 109.36 21.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.086 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 29' ' ' ILE . 96.9 mt -66.55 -69.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.662 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 67' ' ' MET . 1.5 pt? -165.35 152.06 10.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.638 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 37.9 m -88.06 128.03 35.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.464 171.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -76.44 -64.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -156.27 160.09 39.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.093 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -111.99 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -87.86 144.11 26.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.507 -169.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.542 ' HG3' ' HG2' ' A' ' 23' ' ' LYS . 9.7 tp10 61.54 -91.53 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.073 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HG2' ' HG3' ' A' ' 22' ' ' GLU . 14.0 pttm -176.36 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.367 0.667 . . . . 0.0 109.632 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.68 -12.98 6.19 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.877 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -93.25 83.1 4.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.848 0.356 . . . . 0.0 110.342 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 m -85.84 136.68 33.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -130.01 117.55 20.22 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.638 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 17.9 pt-20 -148.9 174.81 11.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.28 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.518 HG22 HD11 ' A' ' 15' ' ' LEU . 40.9 mt -121.53 130.47 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.743 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.443 ' C ' HD21 ' A' ' 30' ' ' ASN . 0.3 OUTLIER -146.03 168.38 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.784 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 31.6 mtm180 -105.77 123.16 47.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.966 0.412 . . . . 0.0 110.566 175.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 49.4 t -101.28 126.78 55.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 1.8 m -89.68 108.33 19.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.948 178.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.506 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 96.6 m-85 -88.23 114.14 24.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 49.0 m-80 78.11 -38.21 0.24 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.047 0.842 . . . . 0.0 110.991 -175.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.52 -65.37 0.33 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.754 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.564 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -69.3 -52.85 14.41 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -72.31 87.62 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.397 2.065 . . . . 0.0 112.478 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -107.85 102.26 11.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.879 176.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -116.64 179.32 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.01 -177.064 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.451 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 38.3 m-85 -82.19 135.71 35.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.349 -169.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.477 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 21.5 t70 -137.47 126.56 24.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.078 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 52.6 mt -104.02 107.34 22.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.557 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 12.1 ttm-85 -133.73 144.53 49.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.184 0.516 . . . . 0.0 111.798 -169.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.0 134.02 47.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.557 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -107.49 143.86 35.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -177.666 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 44' ' ' ARG . . . 81.54 103.85 0.37 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.495 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' B' ' 55' ' ' LYS . 13.7 tt -120.79 128.93 76.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.325 0.583 . . . . 0.0 111.042 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.3 m -93.51 134.73 35.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.582 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.2 mt -117.83 144.94 44.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.6 p -83.55 164.08 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.802 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.451 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 8.2 t30 -56.45 -45.19 80.96 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.795 -176.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.77 -49.78 73.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.361 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.647 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.477 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 23.3 t80 -67.66 -44.81 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.42 -37.64 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.294 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.2 m -58.69 -53.18 61.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.491 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -64.6 -38.15 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.54 HG11 ' HB3' ' B' ' 75' ' ' LEU . 79.4 t -61.7 -42.68 95.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.121 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.64 -49.5 77.28 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.0 -45.16 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.673 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.469 ' HB3' HG12 ' B' ' 68' ' ' VAL . 18.5 m-85 -71.79 -24.86 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.314 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.956 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 83.6 tttt -69.56 -33.57 72.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.71 -4.97 87.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.913 -176.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.418 ' CG ' ' H ' ' A' ' 75' ' ' LEU . 4.4 t-20 -155.54 -161.27 1.14 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.657 0.728 . . . . 0.0 110.886 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.5 ' CD2' HG23 ' B' ' 68' ' ' VAL . 29.9 tp 71.14 -32.15 0.24 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.67 1.188 . . . . 0.0 113.036 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.483 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -110.36 138.67 46.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.735 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 149.16 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.614 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.2 106.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.253 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -60.1 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.836 -177.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -135.16 131.19 36.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.5 117.44 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' B' ' 29' ' ' ILE . 68.5 mt -94.32 -71.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.108 -177.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 69.0 mt -132.54 137.88 47.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.0 m -106.08 100.75 10.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 171.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.08 -67.74 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.149 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -172.06 155.76 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -106.5 120.52 42.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -114.96 172.31 7.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.387 -168.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 52.78 -111.01 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.853 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -135.38 89.13 2.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 7.46 88.44 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.853 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -85.11 97.98 10.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -87.44 136.69 32.84 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.997 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -129.56 120.8 25.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.962 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 4.1 pt-20 -147.97 -175.76 5.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.145 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 65.7 mt -130.97 118.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.467 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -147.63 179.07 7.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 46.5 mtm180 -107.28 121.11 43.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.515 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 42.7 t -106.18 132.46 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.4 p -97.21 133.96 41.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.479 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.54 98.23 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 62.13 90.86 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.271 0.558 . . . . 0.0 111.622 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . 0.512 ' C ' ' HD3' ' B' ' 38' ' ' PRO . . . 101.82 -140.13 14.73 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -176.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.616 ' N ' ' HD3' ' B' ' 38' ' ' PRO . . . -126.5 50.58 5.06 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.616 ' HD3' ' N ' ' B' ' 37' ' ' ALA . 20.0 Cg_endo -95.5 52.58 0.19 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.922 2.415 . . . . 0.0 110.706 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.523 ' HA ' ' O ' ' B' ' 32' ' ' VAL . . . -71.34 104.49 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.613 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 32.4 mmtp -101.42 171.56 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.443 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -83.5 116.43 22.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.236 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -116.14 115.96 26.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -176.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.66 103.62 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.55 ' CB ' ' HA3' ' B' ' 56' ' ' GLY . 21.9 ttm105 -147.08 148.69 31.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.429 0.633 . . . . 0.0 112.452 -169.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.19 132.88 35.81 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.898 -1.047 . . . . 0.0 108.79 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -107.24 132.98 52.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 120.984 0.421 . . . . 0.0 110.012 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.509 -176.637 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.523 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 24.5 mmmt . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.712 0.291 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.55 ' HA3' ' CB ' ' B' ' 44' ' ' ARG . . . -56.49 147.15 32.63 Favored Glycine 0 CA--C 1.517 0.157 0 CA-C-N 115.999 -0.546 . . . . 0.0 114.255 -173.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 19.1 tt -123.07 140.3 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.07 0.462 . . . . 0.0 110.511 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -99.4 134.71 41.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.6 mt -123.88 141.59 51.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.527 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' B' ' 40' ' ' LYS . 11.3 t -83.48 166.71 18.09 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -57.44 -43.85 84.23 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.94 -49.51 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.655 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.95 -40.97 83.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.383 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.413 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 17.8 t80 -62.56 -48.54 79.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.532 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -59.86 -36.99 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.4 m -57.61 -52.64 64.58 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.342 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.514 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.0 ptt? -63.68 -37.62 88.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.933 0.397 . . . . 0.0 110.387 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.5 HG23 ' CD2' ' A' ' 75' ' ' LEU . 49.2 t -64.61 -45.09 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.568 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.89 -41.18 97.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.441 . . . . 0.0 110.68 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.51 -53.53 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.05 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.4 m-85 -67.93 -30.17 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.693 0.282 . . . . 0.0 110.721 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.956 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 21.4 ttmm -54.71 -42.79 71.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.818 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.25 -14.49 41.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.383 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -100.42 -71.36 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -174.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.54 ' HB3' HG11 ' A' ' 68' ' ' VAL . 29.5 tp -67.39 -42.72 82.85 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -169.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.643 ' H ' ' HB2' ' A' ' 35' ' ' ASN . 29.9 p . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.91 118.62 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.205 0.526 . . . . 0.0 110.112 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 10.8 mm-40 -108.91 119.78 40.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.763 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.77 96.27 6.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.89 -35.91 8.84 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -127.33 122.83 34.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 0.0 112.484 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -93.99 111.74 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.347 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 29' ' ' ILE . 94.8 mt -71.34 -53.81 12.91 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.57 145.33 1.2 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.53 170.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.859 HG21 ' HG2' ' A' ' 28' ' ' GLU . 89.3 m -89.95 119.6 30.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.46 173.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.62 -73.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.811 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.457 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 74.4 m -164.35 159.43 19.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.323 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -90.14 103.7 16.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 167.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.403 ' ND2' ' HG2' ' A' ' 22' ' ' GLU . 2.7 t-20 -82.61 123.29 29.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.147 0.499 . . . . 0.0 111.747 -168.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HG2' ' ND2' ' A' ' 21' ' ' ASN . 31.7 mm-40 43.01 -88.06 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.288 1.435 . . . . 0.0 114.424 171.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -89.18 23.92 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -172.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.86 3.1 62.39 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.201 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -76.96 110.3 11.48 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -85.62 137.41 32.87 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.171 0.51 . . . . 0.0 111.022 -173.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -113.52 116.12 29.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.414 176.433 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.859 ' HG2' HG21 ' A' ' 17' ' ' THR . 31.8 mt-10 -132.66 146.99 52.32 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.667 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.506 HG21 HD11 ' A' ' 15' ' ' LEU . 58.4 mt -111.95 118.89 58.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -137.9 178.57 7.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.987 0.422 . . . . 0.0 110.763 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.26 158.61 22.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 21.4 t -145.61 124.55 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 123.171 0.294 . . . . 0.0 111.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.56 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 68.4 m -79.95 130.87 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.859 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 94.2 m-85 -114.67 155.71 26.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.602 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.643 ' HB2' ' H ' ' A' ' 8' ' ' THR . 7.5 t30 -57.73 105.23 0.24 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.155 173.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.31 63.11 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.859 ' HB1' ' HB2' ' A' ' 34' ' ' PHE . . . -146.98 138.65 13.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.661 0.231 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.59 166.18 22.84 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.404 2.069 . . . . 0.0 111.904 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -66.26 95.43 0.3 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 111.043 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -95.24 175.23 6.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.89 142.61 27.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.105 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -138.08 124.94 21.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.482 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.569 HG21 HD11 ' B' ' 57' ' ' ILE . 36.3 mm -91.07 107.11 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 174.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -110.8 122.12 47.05 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -163.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.64 111.96 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.063 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -123.79 147.25 47.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.142 0.496 . . . . 0.0 111.014 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.208 -177.811 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.502 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 32.1 mmtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.041 0.448 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' O ' ' HD2' ' B' ' 55' ' ' LYS . . . -60.3 139.6 48.21 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.123 177.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 tt -126.21 135.2 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.07 0.462 . . . . 0.0 111.253 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.7 p -84.17 142.53 30.27 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.574 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.1 mt -124.54 138.55 54.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.112 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -84.72 172.58 11.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.56 -49.61 75.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.268 . . . . 0.0 110.759 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.94 -54.49 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.234 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 31.9 mt-10 -65.88 -45.35 82.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.125 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -67.2 -43.71 81.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.972 -175.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.11 -41.05 97.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.489 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.8 m -57.84 -45.75 85.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.493 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.514 ' HG3' ' HE2' ' A' ' 71' ' ' PHE . 58.6 ttp -55.93 -54.34 45.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.1 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.562 HG11 ' HB3' ' B' ' 75' ' ' LEU . 65.0 t -55.03 -58.99 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.813 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -70.84 -30.09 66.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.506 -171.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -56.75 16.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.514 ' HE2' ' HG3' ' A' ' 67' ' ' MET . 55.0 m-85 -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.077 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 86.7 tttt -54.09 -41.35 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 176.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.13 -28.14 11.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.174 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -86.97 -66.13 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.433 HD21 HG22 ' B' ' 68' ' ' VAL . 34.9 tp -68.63 -37.67 79.9 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.508 -172.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.53 ' HG2' ' HE2' ' B' ' 72' ' ' LYS . 7.5 tp10 . . . . . 0 C--N 1.324 -0.521 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.462 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.477 ' HA ' ' O ' ' B' ' 33' ' ' SER . 19.5 p90 -103.95 126.33 50.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -129.23 147.59 51.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.477 HG12 HG22 ' B' ' 32' ' ' VAL . 72.1 mt -90.27 110.63 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.447 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -80.0 -53.66 6.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.009 0.433 . . . . 0.0 110.841 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.24 128.64 53.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.486 -173.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -95.23 90.7 5.96 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.173 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.499 HD11 HG22 ' B' ' 29' ' ' ILE . 93.0 mt -55.53 -76.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.488 0.492 . . . . 0.0 112.147 -172.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.29 155.64 29.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.526 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.676 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 47.7 m -92.26 133.1 36.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.065 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.561 ' HG ' ' HA ' ' B' ' 28' ' ' GLU . 84.5 mt -85.62 -47.6 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.124 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.429 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 4.5 t -163.84 154.09 15.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.616 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -128.63 125.3 37.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.805 0.336 . . . . 0.0 110.55 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.01 150.1 36.37 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 64.61 -96.87 0.05 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.045 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' B' ' 23' ' ' LYS . 20.1 ptmt -166.34 22.7 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.46 -23.03 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.095 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -80.45 81.5 6.69 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 26.3 m -109.39 137.89 46.57 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.533 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -115.58 124.05 49.99 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.676 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 16.2 pt-20 -161.44 -174.77 4.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.885 0.374 . . . . 0.0 111.408 -174.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.521 HG12 HG12 ' B' ' 43' ' ' ILE . 42.1 mt -126.81 133.47 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.039 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.32 174.82 10.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.05 -176.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -111.87 131.77 55.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.477 HG22 HG12 ' B' ' 11' ' ' ILE . 59.4 t -127.0 133.5 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.429 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 69.6 m -106.4 135.64 47.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -102.46 97.39 7.63 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 69.94 -56.29 0.58 Allowed 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.912 0.757 . . . . 0.0 110.815 -172.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.04 -152.74 6.93 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.543 ' HB2' ' HD2' ' B' ' 38' ' ' PRO . . . 71.38 164.52 0.14 Allowed Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 124.098 0.528 . . . . 0.0 111.122 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.543 ' HD2' ' HB2' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -49.8 124.08 11.78 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.869 2.379 . . . . 0.0 112.561 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.13 121.97 16.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.883 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -86.54 170.93 11.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -94.27 146.3 24.12 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . 0.635 ' OD2' ' HD2' ' B' ' 44' ' ' ARG . 27.1 t70 -139.44 121.88 16.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.824 -176.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.521 HG12 HG12 ' B' ' 29' ' ' ILE . 55.2 mt -103.76 113.53 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.635 ' HD2' ' OD2' ' B' ' 42' ' ' ASP . 9.5 ptm85 -142.36 161.42 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.448 0.642 . . . . 0.0 112.473 -171.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.77 113.95 24.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.33 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -107.85 168.67 9.11 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.559 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.671 -172.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 96.3 mttt . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.976 0.417 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.26 139.17 6.37 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.569 HD11 HG21 ' A' ' 43' ' ' ILE . 11.7 tt -127.71 127.83 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.368 0.604 . . . . 0.0 111.467 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.9 p -90.58 133.39 35.12 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.472 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.44 ' CD2' ' HG2' ' A' ' 27' ' ' LYS . 94.5 mt -119.45 137.78 53.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.214 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 14.4 m -79.39 167.85 20.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.202 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -59.33 -46.51 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.125 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -58.81 -45.48 89.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.457 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 36.3 mt-10 -63.28 -45.52 91.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.541 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.403 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 t80 -66.79 -40.53 88.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.026 -175.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.46 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.788 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 57.8 m -58.91 -44.96 91.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.55 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -55.16 -49.97 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.199 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.433 HG22 HD21 ' A' ' 75' ' ' LEU . 53.8 t -63.19 -44.43 99.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.595 -173.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.559 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 20.8 t70 -71.08 -40.39 71.59 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' B' ' 74' ' ' ASN . . . -61.35 -45.49 94.19 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.058 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.522 ' HA ' ' HB3' ' B' ' 74' ' ' ASN . 41.0 m-85 -80.89 -26.03 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.5 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.583 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 28.9 ttmt -48.5 -47.58 38.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.97 38.96 3.02 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.1 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.522 ' HB3' ' HA ' ' B' ' 71' ' ' PHE . 0.2 OUTLIER -137.93 -70.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.939 -177.627 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.562 ' HB3' HG11 ' A' ' 68' ' ' VAL . 27.1 tp -95.49 63.72 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.504 0.669 . . . . 0.0 111.235 -172.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -112.95 129.13 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.025 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -128.12 130.87 48.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -86.05 114.16 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.845 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' ARG . 70.5 mm-40 -84.44 -78.15 0.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.202 -176.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -127.61 132.93 49.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.783 -171.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -81.38 91.71 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -52.03 -47.97 64.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.494 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 29' ' ' ILE . 48.0 mt -146.52 135.71 22.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.342 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -105.88 97.61 7.41 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.69 -80.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.886 -169.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.0 m -159.54 173.41 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.191 0.52 . . . . 0.0 111.672 -172.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.37 142.66 46.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.387 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 25' ' ' TRP . 0.9 OUTLIER -94.91 162.48 13.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.419 -179.083 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -34.18 40.77 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 124.308 1.005 . . . . 0.0 113.106 -171.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.09 3.36 15.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.598 0.237 . . . . 0.0 111.544 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.32 32.2 23.31 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.302 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 27.4 m0 -98.84 141.45 31.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.302 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -105.86 138.38 42.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.84 0.353 . . . . 0.0 111.519 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HG3' ' HB1' ' A' ' 45' ' ' ALA . 15.7 ttmm -129.41 118.78 22.73 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.48 169.0 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.383 0.611 . . . . 0.0 110.806 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.528 HG12 HG21 ' A' ' 43' ' ' ILE . 70.5 mt -117.95 124.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.411 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -146.64 172.27 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.269 0.557 . . . . 0.0 112.395 -170.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.528 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 46.9 mtt180 -97.69 130.45 44.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.321 174.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -122.52 120.59 61.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -94.61 125.8 39.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -98.73 93.44 6.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.049 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 66.95 -64.81 0.23 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.095 0.872 . . . . 0.0 110.726 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -126.07 3.2 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . 69.42 150.19 0.12 Allowed Pre-proline 0 N--CA 1.466 0.358 0 C-N-CA 123.004 0.521 . . . . 0.0 112.015 176.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 3.2 Cg_exo -77.87 38.63 0.69 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.313 2.675 . . . . 0.0 112.543 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.528 ' HB3' ' HB3' ' A' ' 31' ' ' ARG . . . 65.32 106.1 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.366 0.603 . . . . 0.0 111.589 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' A' ' 60' ' ' SER . 16.0 tptm -87.86 155.74 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.046 -175.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -88.01 126.43 35.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.464 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.62 128.96 27.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.626 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.528 HG21 HG12 ' A' ' 29' ' ' ILE . 62.0 mt -102.24 119.47 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -128.75 152.85 47.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.222 0.534 . . . . 0.0 112.183 -167.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.516 ' HB1' ' HG3' ' A' ' 27' ' ' LYS . . . -141.32 99.49 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 108.997 171.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -111.82 163.88 13.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.498 0.666 . . . . 0.0 111.707 -171.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.252 178.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.626 ' O ' ' HB3' ' B' ' 55' ' ' LYS . . . 150.93 166.09 13.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.651 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 tt -156.9 140.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.018 0.437 . . . . 0.0 110.774 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -94.46 141.58 28.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.904 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.457 ' HB2' ' HD1' ' A' ' 64' ' ' PHE . 5.3 mp -125.14 146.01 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.515 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 4.2 m -84.45 165.31 18.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.794 175.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -48.19 64.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 122.98 0.175 . . . . 0.0 111.252 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.58 -52.47 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.127 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 32.3 mt-10 -61.82 -44.4 96.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.203 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.537 ' O ' ' HG2' ' A' ' 67' ' ' MET . 5.9 t80 -65.69 -47.51 75.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.539 -177.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.89 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 m -55.8 -50.35 70.74 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.624 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 19.3 ptt? -64.12 -37.28 86.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.271 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.521 HG23 HD21 ' B' ' 75' ' ' LEU . 41.6 t -56.5 -56.36 14.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.211 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.686 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 33.7 t70 -69.03 -36.06 77.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.778 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -48.91 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.193 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 16.4 m-85 -68.51 -43.92 75.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.974 -176.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.686 ' HE3' ' HA ' ' A' ' 69' ' ' ASP . 23.5 pttp -73.23 -12.23 60.79 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.339 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.9 1.05 56.46 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.557 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -127.41 -52.81 1.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 111.262 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.522 HD21 HG23 ' B' ' 68' ' ' VAL . 47.5 tp -100.3 126.54 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 O-C-N 123.989 0.805 . . . . 0.0 109.887 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' B' ' 33' ' ' SER . 43.3 p90 -123.28 145.28 48.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 178.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -146.36 128.88 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.499 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.522 HG12 HG23 ' B' ' 32' ' ' VAL . 57.2 mt -80.18 96.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.0 -36.54 19.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.561 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.53 ' HB3' ' HB2' ' B' ' 31' ' ' ARG . 33.5 tt0 -130.84 142.64 50.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -171.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.3 136.04 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.485 HD11 HG21 ' B' ' 29' ' ' ILE . 96.8 mt -90.54 -69.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.52 143.9 7.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.098 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.635 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 33.4 m -80.02 114.84 19.23 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.54 -69.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.251 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.425 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 69.2 m -163.42 155.17 17.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.946 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -82.75 145.66 29.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.453 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 1.0 OUTLIER -99.06 143.95 28.75 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 8.5 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -170.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -93.97 1.1 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.04 13.71 55.89 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.453 ' HB2' ' HB2' ' B' ' 21' ' ' ASN . 30.0 m0 -98.9 164.25 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -175.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -129.53 139.12 51.62 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.117 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -134.57 124.74 25.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.76 0.314 . . . . 0.0 110.42 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.635 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.0 pt-20 -151.28 -178.5 6.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.173 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.519 HG12 HG12 ' B' ' 43' ' ' ILE . 48.1 mt -125.3 131.07 72.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.874 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -134.71 174.39 10.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.348 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.53 ' HB2' ' HB3' ' B' ' 13' ' ' GLU . 18.1 mtp180 -112.93 129.58 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.226 174.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.522 HG23 HG12 ' B' ' 11' ' ' ILE . 41.3 t -122.02 124.98 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 17.8 m -82.2 142.66 31.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -120.72 106.22 11.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.615 0.245 . . . . 0.0 111.134 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 61.02 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.266 0.626 . . . . 0.0 111.211 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.0 19.0 5.26 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.33 150.14 36.93 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.55 148.8 33.48 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.18 2.587 . . . . 0.0 112.532 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -62.65 117.97 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.997 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 98.3 mttt -94.63 175.0 6.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.012 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.579 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 93.0 m-85 -91.34 137.94 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.697 0.284 . . . . 0.0 110.762 -175.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -143.36 125.46 15.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.687 0.279 . . . . 0.0 110.561 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.519 HG12 HG12 ' B' ' 29' ' ' ILE . 47.6 mt -98.13 123.03 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -139.37 146.95 40.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.262 0.553 . . . . 0.0 111.97 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.32 137.26 52.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.76 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -108.22 137.08 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.286 -174.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.252 -179.841 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.626 ' HB3' ' O ' ' A' ' 56' ' ' GLY . 57.0 mttp . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.41 156.73 8.44 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.473 HD12 HG22 ' A' ' 43' ' ' ILE . 8.6 tt -158.06 133.68 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.162 0.506 . . . . 0.0 111.768 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.1 m -95.63 144.93 25.65 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.114 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.64 147.31 48.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -83.07 164.96 19.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.579 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 5.8 p30 -57.36 -48.46 78.95 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.58 -39.26 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.499 0.19 . . . . 0.0 111.127 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.21 -43.69 95.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.564 0.697 . . . . 0.0 109.565 176.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.488 ' O ' ' HG3' ' B' ' 67' ' ' MET . 9.3 t80 -63.56 -50.18 70.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.366 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -53.22 -39.35 63.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.045 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -60.83 -48.74 80.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.343 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -72.59 -30.68 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.157 -176.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.522 HG23 HD21 ' A' ' 75' ' ' LEU . 74.4 t -62.57 -44.57 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.625 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.23 -47.61 85.26 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.237 0.542 . . . . 0.0 110.642 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.458 ' HB2' HD11 ' A' ' 16' ' ' LEU . . . -60.18 -47.33 86.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.557 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.426 ' O ' HG11 ' A' ' 68' ' ' VAL . 22.9 m-85 -78.23 -9.19 59.1 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.156 0.503 . . . . 0.0 110.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.563 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 85.6 tttt -82.86 -21.6 34.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.62 -23.31 50.83 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.117 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -158.79 -167.45 2.13 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 117.342 0.571 . . . . 0.0 111.252 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 68' ' ' VAL . 0.4 OUTLIER 74.54 1.77 3.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.877 0.871 . . . . 0.0 111.902 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 122.251 1.024 . . . . 0.0 110.119 172.249 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.633 0.254 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -112.75 130.97 55.88 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' HB2' ' OG ' ' A' ' 33' ' ' SER . 72.6 mm-40 -122.84 122.22 38.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.3 mt -80.86 104.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.21 -65.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.498 0.666 . . . . 0.0 110.85 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -134.05 141.09 47.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.835 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -93.68 116.18 28.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 29' ' ' ILE . 96.5 mt -65.58 -57.64 7.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.84 135.38 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.866 173.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 m -78.54 104.0 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.835 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 83.6 mt -56.44 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.346 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -171.1 -178.13 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.864 0.364 . . . . 0.0 110.031 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.29 117.36 15.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -112.75 154.2 26.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.904 0.383 . . . . 0.0 111.72 -171.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 60.34 21.72 11.24 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.018 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.6 tttt 60.72 86.18 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.317 0.647 . . . . 0.0 111.022 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.44 -43.52 1.45 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.285 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -72.26 99.67 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.2 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 8.4 m -87.03 138.16 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.445 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HD3' HD22 ' B' ' 59' ' ' LEU . 38.5 ttmt -123.37 121.69 36.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -150.36 179.33 8.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.258 0.551 . . . . 0.0 111.929 -174.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.528 HG12 HG23 ' A' ' 43' ' ' ILE . 53.9 mt -130.6 120.41 48.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.471 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -143.7 -178.92 6.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.952 0.406 . . . . 0.0 111.289 -175.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -106.3 119.38 39.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.911 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.29 121.94 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.243 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 13.3 p -91.88 145.93 24.15 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -123.6 121.8 36.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.508 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 p30 47.33 30.75 1.6 Allowed 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.376 1.048 . . . . 0.0 112.983 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.36 -156.19 27.07 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.355 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.601 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -84.6 -52.56 0.52 Allowed Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 6.1 Cg_endo -47.43 115.94 1.6 Allowed 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.382 2.721 . . . . 0.0 113.111 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.581 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -104.03 164.77 11.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.224 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -124.14 150.94 44.53 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -78.22 114.88 17.52 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.474 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 25.7 t70 -118.69 123.86 45.94 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.096 0.474 . . . . 0.0 111.188 -175.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.544 HG21 HD12 ' B' ' 57' ' ' ILE . 52.4 mt -101.82 108.34 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.474 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 16.1 ttm-85 -142.77 145.89 33.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 0.0 112.517 -170.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -110.74 114.43 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.794 170.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -111.37 151.73 28.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.253 0.549 . . . . 0.0 112.27 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.694 177.49 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' B' ' 57' ' ' ILE . 50.8 mtpt . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.513 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -164.38 144.31 9.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.849 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.23 145.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.383 . . . . 0.0 110.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.0 p -96.19 140.85 30.29 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.652 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.84 150.73 42.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.268 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.9 m -87.64 165.23 15.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -64.52 -35.93 82.57 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.08 -42.33 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.246 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 66' ' ' THR . 40.2 mt-10 -64.7 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.508 0.67 . . . . 0.0 110.125 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' HD2' HD23 ' B' ' 75' ' ' LEU . 4.4 t80 -62.36 -51.13 68.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.664 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.94 -31.64 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 75.9 m -55.14 -45.34 75.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.843 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.578 ' HE1' ' CE2' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -78.69 -29.63 45.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.513 -178.069 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 64' ' ' PHE . 96.4 t -56.06 -53.43 38.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.286 0.565 . . . . 0.0 110.41 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.573 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 19.2 t70 -71.58 -34.03 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.03 95.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.319 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.514 ' CE2' ' HE2' ' B' ' 67' ' ' MET . 19.8 m-85 -73.96 -24.03 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.995 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 69' ' ' ASP . 34.6 ttmt -58.76 -39.85 82.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.47 0.653 . . . . 0.0 109.734 171.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.23 45.12 1.51 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.741 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -161.49 -66.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.108 0.454 . . . . 0.0 111.596 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.405 HD22 ' HD2' ' B' ' 64' ' ' PHE . 4.8 mp -94.16 -22.95 18.13 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.147 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 49.2 tt0 . . . . . 0 C--N 1.322 -0.612 0 CA-C-O 121.126 0.489 . . . . 0.0 110.714 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -145.2 122.41 11.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.129 0.49 . . . . 0.0 109.915 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -133.12 148.76 52.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.309 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.92 124.05 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.082 0.468 . . . . 0.0 111.17 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.513 ' HG3' ' HB1' ' B' ' 39' ' ' ALA . 18.2 mm-40 -88.71 -42.92 11.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.691 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -162.0 121.79 2.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.977 -173.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.426 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.8 OUTLIER -94.09 137.3 33.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.011 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.468 HD12 HG23 ' B' ' 29' ' ' ILE . 67.0 mt -82.13 -58.15 3.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -174.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -152.36 149.42 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 177.355 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.638 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 91.7 m -92.31 121.34 33.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.583 173.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.67 -58.41 3.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -162.35 155.78 20.56 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.365 0.602 . . . . 0.0 112.098 -173.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -111.15 103.59 12.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 168.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.48 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 14.8 m120 -87.82 124.97 34.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.129 -172.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 55.02 34.07 21.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.19 171.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 pttm 39.98 83.01 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.866 0.866 . . . . 0.0 112.478 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.99 -46.7 0.48 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.48 ' HB2' ' HB2' ' B' ' 21' ' ' ASN . 10.7 m95 -84.72 104.23 14.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.542 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.8 m -97.88 135.66 39.31 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.885 174.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.525 ' HG3' ' HB1' ' B' ' 45' ' ' ALA . 31.9 ttpt -134.6 123.77 24.34 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.638 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.3 pt-20 -156.78 -179.27 8.03 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.465 0.65 . . . . 0.0 111.766 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.525 HG12 HG23 ' B' ' 43' ' ' ILE . 80.9 mt -117.37 116.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.972 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 8.0 p30 -139.49 168.12 20.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.3 mtm105 -103.26 119.23 38.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.683 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.56 131.38 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.43 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -91.34 113.84 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -88.73 121.85 31.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.752 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p30 43.91 -98.34 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.765 0.826 . . . . 0.0 112.295 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.42 32.33 3.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.872 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.22 155.72 41.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.65 140.32 46.21 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.065 2.51 . . . . 0.0 112.545 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' B' ' 12' ' ' GLU . . . -65.93 106.5 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.2 mttt -86.93 165.67 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.26 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -82.74 115.38 21.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.358 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -114.01 117.52 31.56 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.177 0.513 . . . . 0.0 109.743 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.525 HG23 HG12 ' B' ' 29' ' ' ILE . 8.1 mm -90.19 103.36 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -151.37 148.06 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.821 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.525 ' HB1' ' HG3' ' B' ' 27' ' ' LYS . . . -107.92 140.23 41.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.116 172.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . 0.542 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 9.8 p-90 -107.37 126.68 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.648 0.737 . . . . 0.0 110.316 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.108 -1.405 . . . . 0.0 110.085 -173.491 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.461 0.648 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.466 ' O ' ' HB3' ' A' ' 55' ' ' LYS . . . 91.62 -179.1 41.54 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.961 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.687 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 8.8 tt -148.94 141.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.42 0.288 . . . . 0.0 110.284 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.5 m -97.92 117.93 33.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.336 0.589 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.561 HD22 ' HD3' ' A' ' 27' ' ' LYS . 56.4 mt -104.61 138.44 40.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.793 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.411 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 32.6 t -83.8 165.9 18.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -60.43 -27.68 67.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -64.09 -62.08 1.86 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.455 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.835 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 16.7 pm0 -72.17 -23.56 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 -177.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.574 ' O ' HG22 ' B' ' 68' ' ' VAL . 11.4 t80 -64.84 -52.47 56.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.118 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . 0.405 HE22 ' HB3' ' A' ' 75' ' ' LEU . 7.6 tp-100 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.113 0.483 . . . . 0.0 109.88 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.7 m -53.63 -51.54 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.514 ' HE2' ' CE2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -71.07 -32.06 68.63 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.598 -176.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.574 HG22 ' O ' ' B' ' 64' ' ' PHE . 66.1 t -53.61 -48.31 59.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.289 0.566 . . . . 0.0 110.063 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.0 -42.43 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.926 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.34 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.453 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.578 ' CE2' ' HE1' ' A' ' 67' ' ' MET . 17.6 m-85 -72.46 -28.2 62.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.145 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 7.9 mmtp -64.25 -30.34 71.4 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.502 0.668 . . . . 0.0 110.171 171.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.57 27.87 18.54 Favored Glycine 0 C--N 1.316 -0.551 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.269 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -143.2 -64.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 64' ' ' PHE . 6.2 mp -89.82 -31.49 17.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' B' ' 72' ' ' LYS . 24.2 tp10 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.908 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.448 -0.571 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' SER . 50.5 p90 -126.41 147.48 49.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 111.566 -174.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.49 153.61 33.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.376 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.57 96.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 109.737 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.501 ' HG3' ' HB3' ' A' ' 39' ' ' ALA . 44.9 mm-40 -60.65 -43.18 97.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.1 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -157.42 126.21 5.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -83.57 103.89 13.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.411 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 29' ' ' ILE . 67.7 mt -77.35 -64.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 -175.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' B' ' 67' ' ' MET . 87.8 mt -134.47 147.1 50.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.607 -173.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -106.56 117.45 34.08 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 10.0 mt -83.03 -68.41 0.71 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.549 ' HB3' ' OE2' ' B' ' 63' ' ' GLU . 22.8 t -179.8 171.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.571 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 13.4 tt0 -115.94 120.11 38.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.27 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 4.2 p-10 -115.36 169.57 9.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.436 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 57.98 15.85 3.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.975 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 58.56 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.392 0.615 . . . . 0.0 111.231 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.73 -34.99 5.36 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.749 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.519 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 40.0 m95 -76.37 96.49 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.286 0.565 . . . . 0.0 110.037 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 7.0 m -94.14 138.39 32.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' A' ' 45' ' ' ALA . 35.5 mtmm -108.44 125.09 51.37 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -140.39 170.34 16.0 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.911 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.486 HG12 HG12 ' A' ' 43' ' ' ILE . 67.2 mt -120.84 119.8 60.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -147.2 166.63 26.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.222 0.534 . . . . 0.0 111.544 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.497 ' HD3' ' HB1' ' A' ' 39' ' ' ALA . 54.5 mtt180 -87.09 141.09 28.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.939 174.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -126.98 133.53 68.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 20.8 p -113.11 123.4 50.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.146 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.48 113.11 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.639 0.257 . . . . 0.0 111.601 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 70.76 -60.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.957 0.903 . . . . 0.0 111.881 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.4 -127.38 4.22 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.685 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -135.54 42.99 0.81 Allowed Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.685 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 4.4 Cg_endo -85.72 93.02 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.161 1.907 . . . . 0.0 110.476 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.501 ' HB3' ' HG3' ' A' ' 12' ' ' GLU . . . -81.27 99.46 8.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.001 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 75.0 mttt -101.8 174.4 5.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 171.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -100.3 125.98 46.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.611 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.534 ' OD1' ' HB2' ' A' ' 44' ' ' ARG . 15.5 t70 -124.51 126.39 45.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.486 HG12 HG12 ' A' ' 29' ' ' ILE . 59.3 mt -98.59 104.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 173.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.534 ' HB2' ' OD1' ' A' ' 42' ' ' ASP . 3.2 tpp180 -118.54 143.06 47.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.304 0.573 . . . . 0.0 112.505 -167.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' A' ' 27' ' ' LYS . . . -111.01 106.36 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.877 168.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.519 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 60.7 p-90 -108.77 143.04 38.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.093 0.473 . . . . 0.0 111.645 -175.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.415 ' O ' ' HE3' ' A' ' 46' ' ' TRP . 5.6 p . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.406 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 pttt . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.359 0.599 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.496 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -164.05 -172.02 31.0 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.499 HD11 ' HD2' ' B' ' 27' ' ' LYS . 10.2 tp -140.11 128.91 26.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 117.292 0.546 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 p -91.01 118.71 30.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.702 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.48 134.4 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.017 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 m -83.41 166.35 18.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.807 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -55.53 -36.43 66.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.231 0.538 . . . . 0.0 110.961 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.91 -54.41 46.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.878 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.18 -38.51 85.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.772 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.645 ' HD2' HD21 ' B' ' 75' ' ' LEU . 3.2 t80 -61.61 -53.77 51.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.862 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -59.28 -38.15 79.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.678 0.275 . . . . 0.0 110.808 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -55.94 -49.93 72.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.57 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.514 ' HA ' HD12 ' B' ' 16' ' ' LEU . 22.3 ptt? -67.24 -36.57 81.91 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.291 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.565 HG12 ' HE3' ' A' ' 72' ' ' LYS . 77.7 t -59.33 -50.04 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.223 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.524 ' HA ' ' HG2' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -63.02 -43.39 98.89 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.869 0.366 . . . . 0.0 111.497 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.25 -40.92 91.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.099 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.497 ' HB3' HG13 ' B' ' 68' ' ' VAL . 22.6 m-85 -81.24 -35.28 31.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.935 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HE3' HG12 ' A' ' 68' ' ' VAL . 14.8 ptpt -64.22 -25.92 68.28 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.581 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -102.46 11.36 56.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.309 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.94 -59.69 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.265 0.532 . . . . 0.0 112.37 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.753 ' HB3' HG12 ' B' ' 68' ' ' VAL . 19.7 tp -91.45 164.4 13.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.083 -170.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HB3' ' HE2' ' B' ' 72' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.464 0.23 0 C-N-CA 123.484 0.714 . . . . 0.0 109.163 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -145.02 141.74 29.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.764 0.316 . . . . 0.0 110.172 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.94 153.32 52.11 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.443 ' N ' HD13 ' B' ' 11' ' ' ILE . 3.7 mp -83.05 111.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.355 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 9.8 mm-40 -75.82 -49.91 16.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -150.3 117.42 5.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.74 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -78.75 107.74 11.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.491 HD12 HG22 ' B' ' 29' ' ' ILE . 88.1 mt -65.94 -69.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.495 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 67' ' ' MET . 1.2 pt? -155.75 161.52 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -99.28 127.83 45.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.585 174.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 82.1 mt -82.21 -59.61 2.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.986 0.422 . . . . 0.0 110.136 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -154.6 160.14 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.87 106.02 8.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 2.9 t-20 -110.98 141.22 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.211 -169.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 63.81 10.63 5.31 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.865 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 47.3 tttm 56.79 84.23 0.09 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.033 0.533 . . . . 0.0 110.616 -176.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.48 -35.48 2.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.753 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.51 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 77.9 m95 -87.5 84.21 7.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 23.5 m -92.98 136.52 33.19 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.068 -173.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.499 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -105.46 122.73 46.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.404 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -151.3 175.57 12.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.611 . . . . 0.0 111.608 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.526 HG12 HG21 ' B' ' 43' ' ' ILE . 51.1 mt -131.11 123.75 54.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.912 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -143.79 166.47 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.102 0.477 . . . . 0.0 111.361 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.663 HH11 ' HB1' ' B' ' 39' ' ' ALA . 45.9 mtt-85 -85.23 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.838 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.81 126.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.375 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 6.2 p -99.84 136.46 39.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -113.2 108.32 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.121 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 59.47 36.84 23.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.496 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.76 67.78 1.62 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.403 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -147.17 158.71 44.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -46.53 125.48 9.31 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.327 2.685 . . . . 0.0 112.182 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.663 ' HB1' HH11 ' B' ' 31' ' ' ARG . . . -62.92 125.17 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.877 -175.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 58.5 mttp -106.81 169.7 8.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 177.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -99.47 116.83 32.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.3 . . . . 0.0 110.727 -174.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -112.17 121.65 45.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.526 HG21 HG12 ' B' ' 29' ' ' ILE . 56.8 mt -101.63 109.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.707 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 8.5 ptp180 -150.71 -173.72 4.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.511 0.672 . . . . 0.0 112.156 -174.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.4 ' HB3' ' HD3' ' B' ' 27' ' ' LYS . . . -122.36 150.05 42.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.01 175.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . 0.51 ' O ' ' HA ' ' B' ' 25' ' ' TRP . 96.9 m95 -108.52 149.94 28.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.548 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.707 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . -169.8 -179.71 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.767 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.496 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 21.1 tt -132.28 140.29 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.148 0.499 . . . . 0.0 111.008 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -100.67 129.63 46.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.312 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.4 mt -113.66 140.2 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -81.67 173.09 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.328 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -52.58 -56.76 13.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.79 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -64.66 -43.69 92.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.549 ' OE2' ' HB3' ' A' ' 19' ' ' SER . 40.8 mt-10 -61.1 -40.61 94.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.685 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -67.39 -45.88 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.085 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -44.18 85.22 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.5 m -53.75 -51.98 61.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.69 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.466 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.73 -36.48 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.113 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.753 HG12 ' HB3' ' A' ' 75' ' ' LEU . 48.7 t -61.39 -48.38 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-O 120.62 0.248 . . . . 0.0 110.893 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.52 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 22.6 t70 -62.9 -40.82 98.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.394 . . . . 0.0 111.132 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.93 78.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.153 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.23 -26.52 61.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.74 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.52 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 23.9 ttpp -57.98 -37.45 74.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.273 0.558 . . . . 0.0 110.142 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.64 33.97 6.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.926 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -152.29 -178.65 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.645 HD21 ' HD2' ' A' ' 64' ' ' PHE . 6.5 mp 55.82 -162.34 0.16 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.823 0.449 . . . . 0.0 110.838 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.463 177.691 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.78 0.324 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -113.68 137.68 51.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -144.68 141.0 28.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.076 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.483 HG12 HG23 ' A' ' 32' ' ' VAL . 58.9 mt -81.86 114.94 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -91.2 -52.34 4.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.175 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 56.3 tt0 -127.23 143.92 51.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.402 -174.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -115.9 116.2 27.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 HG21 ' A' ' 29' ' ' ILE . 95.6 mt -76.19 -72.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.071 -174.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -158.31 164.62 36.22 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.145 0.498 . . . . 0.0 111.387 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.646 HG21 ' HG2' ' A' ' 28' ' ' GLU . 19.8 m -100.0 123.97 44.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.431 173.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 93.8 mt -77.8 -59.81 2.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.603 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.4 p -165.37 171.67 13.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 111.286 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -123.83 113.18 18.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 13.5 m120 -106.16 147.42 29.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 63.11 -86.95 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.357 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -178.02 82.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.45 -20.58 6.94 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.105 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.474 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 91.8 m95 -81.87 82.96 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 m -87.3 137.51 32.28 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.626 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 3.7 ttmp? -115.21 119.62 36.96 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.646 ' HG2' HG21 ' A' ' 17' ' ' THR . 37.0 mt-10 -138.11 167.34 22.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.039 0.447 . . . . 0.0 111.062 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.511 HG12 HG22 ' A' ' 43' ' ' ILE . 40.0 mt -130.5 130.14 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.52 -0.763 . . . . 0.0 108.983 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.59 -174.99 4.75 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 12.3 mtp85 -121.62 106.08 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.792 -177.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG23 HG12 ' A' ' 11' ' ' ILE . 77.7 t -101.23 140.55 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.39 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 t -108.79 146.24 33.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 0.0 110.368 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -118.25 111.71 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.697 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 68.32 -73.11 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.563 0.745 . . . . 0.0 111.283 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.07 54.88 0.41 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . . . -98.61 163.66 18.54 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 37' ' ' ALA . 66.2 Cg_endo -75.33 17.21 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.577 2.185 . . . . 0.0 112.385 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 31' ' ' ARG . . . 67.05 105.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.451 0.7 . . . . 0.0 111.31 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 67.4 mttm -94.69 175.27 6.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.348 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -100.69 136.61 40.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.37 132.4 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.413 0.625 . . . . 0.0 110.493 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.511 HG22 HG12 ' A' ' 29' ' ' ILE . 59.8 mt -107.04 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.062 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.826 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 77.3 mtp180 -132.25 162.02 32.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.46 0.648 . . . . 0.0 112.075 -172.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.45 142.61 43.5 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.047 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.474 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 78.1 m95 -108.06 125.09 51.16 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.9 0.381 . . . . 0.0 110.224 -178.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.965 -179.425 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt . . . . . 0 C--O 1.232 0.178 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.826 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . -174.54 160.22 29.47 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.621 -178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.5 tp -124.05 133.77 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.898 0.38 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.8 m -94.58 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.329 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.77 132.93 52.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.067 0.46 . . . . 0.0 110.745 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t -78.0 172.66 13.17 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -53.64 54.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.537 -173.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.1 -42.59 96.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.334 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 39.2 mt-10 -60.57 -46.4 90.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.413 0.625 . . . . 0.0 110.235 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.528 ' O ' ' HG2' ' A' ' 67' ' ' MET . 15.8 t80 -63.47 -46.7 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.095 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.18 -37.67 77.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.3 m -54.79 -52.69 61.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 15.6 ptt? -66.78 -36.11 81.65 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.617 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.513 HG23 HD22 ' B' ' 75' ' ' LEU . 43.9 t -59.56 -61.04 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.293 -176.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.24 -37.27 82.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.923 0.392 . . . . 0.0 110.6 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.64 55.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.254 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.45 ' HB3' HG23 ' B' ' 68' ' ' VAL . 23.0 m-85 -72.39 -32.08 66.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.616 0.246 . . . . 0.0 111.025 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.854 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 64.1 tttm -53.21 -36.26 60.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.461 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.34 1.35 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -148.69 -65.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.86 0.33 . . . . 0.0 111.745 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 HG21 ' B' ' 68' ' ' VAL . 25.6 tp -65.38 -39.96 92.91 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.998 -173.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.511 ' CD ' ' HZ2' ' B' ' 72' ' ' LYS . 16.6 tt0 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.434 ' HB2' HG11 ' B' ' 32' ' ' VAL . 25.3 p90 -119.23 121.1 38.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.809 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.736 ' HB2' ' HB3' ' B' ' 33' ' ' SER . 18.6 mt-10 -120.08 117.23 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.177 -177.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.57 99.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 0.0 110.076 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -88.46 -50.17 6.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.063 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 38.4 tt0 -125.25 125.72 44.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.626 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -99.7 121.98 42.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -97.01 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.794 -175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 67' ' ' MET . 88.0 mt -132.79 147.23 52.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.478 ' HA ' ' HG2' ' B' ' 28' ' ' GLU . 45.3 m -106.16 101.08 10.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.1 -64.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.612 -172.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.444 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 41.4 t -155.04 150.73 27.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.766 -175.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -105.67 102.63 12.07 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -115.4 153.44 31.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 64.74 5.82 2.98 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.821 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.9 mttm 52.25 81.79 0.08 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.442 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.22 -26.3 3.4 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.166 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -103.85 93.97 5.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.855 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -87.21 137.18 32.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.202 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 35.3 ttpt -117.28 116.08 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.478 ' HG2' ' HA ' ' B' ' 17' ' ' THR . 46.7 mt-10 -134.8 170.74 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.438 0.637 . . . . 0.0 111.718 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.501 HG12 HG22 ' B' ' 43' ' ' ILE . 60.9 mt -117.78 136.37 55.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.843 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.483 ' N ' HD21 ' B' ' 30' ' ' ASN . 0.1 OUTLIER -164.68 -174.23 3.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -176.593 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.477 ' HD3' ' CE2' ' B' ' 41' ' ' PHE . 41.1 mtm180 -125.41 114.11 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.963 0.411 . . . . 0.0 110.502 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.434 HG11 ' HB2' ' B' ' 9' ' ' PHE . 58.2 t -100.34 137.11 28.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.886 -178.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.736 ' HB3' ' HB2' ' B' ' 10' ' ' GLU . 30.1 t -82.16 117.95 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.197 173.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.74 105.2 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 64.15 16.0 9.71 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.487 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.56 -149.48 16.74 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -174.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.65 171.61 0.09 OUTLIER Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.59 0.356 . . . . 0.0 111.362 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 52.2 Cg_exo -56.77 125.28 18.49 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.132 1.888 . . . . 0.0 111.906 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.06 125.21 16.55 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.896 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.754 ' HE3' ' HA ' ' B' ' 40' ' ' LYS . 0.6 OUTLIER -86.12 152.47 22.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.541 -177.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.477 ' CE2' ' HD3' ' B' ' 31' ' ' ARG . 22.6 m-85 -80.77 128.84 34.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . 0.662 ' HB3' HG22 ' B' ' 58' ' ' THR . 8.3 p-10 -138.72 136.41 35.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.503 0.668 . . . . 0.0 111.424 178.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.501 HG22 HG12 ' B' ' 29' ' ' ILE . 52.9 mt -116.44 113.05 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.901 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.548 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 4.4 ppt_? -162.58 177.52 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.876 0.369 . . . . 0.0 111.695 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -114.58 155.86 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.951 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 67.8 p-90 -130.1 154.88 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.688 -170.683 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mttp . . . . . 0 C--O 1.234 0.288 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.548 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . 173.89 -154.72 20.31 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.527 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 11.6 tt -138.19 138.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.97 0.414 . . . . 0.0 111.154 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.662 HG22 ' HB3' ' B' ' 42' ' ' ASP . 16.7 p -102.95 133.04 48.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.493 174.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.764 HD23 ' HD1' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -144.27 168.64 19.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.722 0.296 . . . . 0.0 111.458 -173.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.542 ' HA ' ' HE2' ' B' ' 40' ' ' LYS . 12.1 t -96.6 173.18 7.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.367 0.603 . . . . 0.0 111.773 -171.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -29.37 70.61 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.618 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.96 -60.13 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.626 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 mp0 -57.71 -39.75 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.847 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.764 ' HD1' HD23 ' B' ' 59' ' ' LEU . 1.0 OUTLIER -56.65 -48.13 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.347 -178.795 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -67.07 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.406 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.9 m -57.06 -49.46 75.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.423 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 23.6 ptt? -68.37 -32.79 73.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 64' ' ' PHE . 48.6 t -60.89 -44.28 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.42 -48.45 72.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.448 . . . . 0.0 110.728 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.12 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.285 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 24.9 m-85 -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.854 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 81.2 tttt -76.94 -25.54 53.01 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 -11.09 50.4 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.827 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -123.27 166.66 14.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.447 -0.443 . . . . 0.0 110.168 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.513 HD22 HG23 ' A' ' 68' ' ' VAL . 5.6 mp 58.42 -162.49 0.22 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.37 0.268 . . . . 0.0 110.477 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.488 0 O-C-N 123.783 0.677 . . . . 0.0 110.171 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.606 -0.886 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.566 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 49.2 p90 -140.68 147.24 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.631 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.7 149.68 33.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.586 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.84 98.99 7.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.5 -32.37 17.22 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.534 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 8.3 tp10 -123.44 141.57 51.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.941 0.4 . . . . 0.0 110.98 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -117.86 125.46 50.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.796 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.435 HD13 HG22 ' A' ' 29' ' ' ILE . 86.7 mt -100.58 -70.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.127 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 82.6 mt -134.98 147.62 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 -173.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -106.64 120.02 40.86 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 165.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 mt -87.98 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p -161.01 163.76 31.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 112.165 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -102.85 107.65 18.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.004 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.21 125.39 35.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.779 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 58.1 20.67 7.16 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.102 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 tttp 55.72 84.04 0.08 Allowed 'General case' 0 CA--C 1.53 0.177 0 O-C-N 123.699 0.624 . . . . 0.0 111.078 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.64 -51.06 0.54 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.908 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -86.5 98.22 10.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 137.36 32.41 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.93 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -112.74 131.24 55.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.875 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 11.7 pt-20 -148.09 174.0 12.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.337 0.589 . . . . 0.0 111.505 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.435 HG22 HD13 ' A' ' 15' ' ' LEU . 63.1 mt -123.31 122.54 65.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.734 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -148.05 -175.62 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.907 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.566 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 61.9 mtp180 -113.83 119.64 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.535 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.566 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 79.0 t -101.1 124.35 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.815 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' A' ' 37' ' ' ALA . 2.8 m -89.96 113.69 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.779 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -92.01 112.34 24.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.472 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 68.8 -63.67 0.35 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.853 0.861 . . . . 0.0 111.784 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.481 ' C ' ' HD3' ' A' ' 38' ' ' PRO . . . -98.47 -133.39 7.99 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.513 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -128.26 61.87 55.53 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.865 0.332 . . . . 0.0 111.808 174.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 93.6 Cg_endo -105.02 46.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 123.836 3.024 . . . . 0.0 110.687 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -52.85 107.05 0.19 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.572 -170.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -99.55 172.06 7.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.318 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.09 127.34 33.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.787 0.327 . . . . 0.0 110.282 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.494 ' OD1' ' HD2' ' A' ' 44' ' ' ARG . 13.0 t70 -130.99 119.11 21.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.1 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.581 HG22 HD11 ' B' ' 57' ' ' ILE . 54.2 mt -95.23 112.3 27.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' HD2' ' OD1' ' A' ' 42' ' ' ASP . 10.9 ptm85 -145.22 164.25 31.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.488 0.661 . . . . 0.0 112.145 -169.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.02 127.31 45.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.831 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -108.29 146.86 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.425 0.631 . . . . 0.0 111.122 -177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.892 -174.499 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.7 mttt . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 121.057 0.456 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.54 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -139.06 173.29 22.74 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.54 ' HB ' ' HA2' ' B' ' 56' ' ' GLY . 20.2 tt -148.86 142.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.481 0.641 . . . . 0.0 112.08 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.8 p -92.16 143.09 26.79 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.053 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.7 mt -128.25 129.59 46.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -77.64 171.08 15.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.48 -42.78 88.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.55 -53.45 54.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.243 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.42 -41.52 98.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.143 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.48 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 29.4 t80 -65.21 -44.63 87.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.75 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -63.18 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -53.04 -51.45 61.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.299 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 16.5 ptt? -66.16 -40.73 90.77 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.877 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.452 HG23 HD23 ' B' ' 75' ' ' LEU . 66.8 t -57.48 -52.31 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.778 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 18.9 t70 -64.45 -48.21 76.17 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 110.936 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.17 86.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.563 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -82.69 -35.31 26.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -62.62 -28.08 69.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.94 -178.367 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.451 ' N ' ' HD3' ' A' ' 72' ' ' LYS . . . -105.49 33.83 6.23 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.335 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -155.44 -53.38 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.732 0.266 . . . . 0.0 111.398 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HG ' ' NE2' ' B' ' 65' ' ' GLN . 30.4 tp -109.49 33.59 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.81 -171.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.485 0.659 . . . . 0.0 109.835 174.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -108.11 133.22 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 151.11 36.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.218 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.7 mt -93.95 107.39 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.198 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.625 ' HG3' ' HG ' ' B' ' 33' ' ' SER . 22.3 mm-40 -78.54 -40.41 35.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.154 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -149.09 114.81 5.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.106 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -98.36 125.41 43.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.35 -73.84 0.22 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.619 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.45 148.79 29.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.081 0.467 . . . . 0.0 110.72 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.6 m -86.03 121.35 28.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.535 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.26 -63.21 1.13 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.4 m -164.4 170.92 15.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.36 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -106.79 107.35 18.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 172.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.417 ' OD1' ' HG2' ' B' ' 22' ' ' GLU . 6.6 t-20 -90.31 130.56 36.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.028 -170.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.417 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 22.1 mm-40 59.95 23.37 12.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.03 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 52.11 87.95 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.443 0.639 . . . . 0.0 111.704 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.83 -47.21 0.95 Allowed Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.796 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -86.45 97.55 10.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 0.0 109.748 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -85.4 137.47 32.91 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.402 ' CD ' HD11 ' A' ' 57' ' ' ILE . 30.3 ttpt -119.58 117.92 29.64 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -176.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' B' ' 29' ' ' ILE . 31.0 tt0 -135.86 155.5 50.22 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.85 -170.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.582 HG12 HG12 ' B' ' 43' ' ' ILE . 59.5 mt -108.69 115.61 49.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.334 173.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.26 174.45 10.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.847 0.356 . . . . 0.0 111.142 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.45 ' HB3' ' HB2' ' B' ' 39' ' ' ALA . 78.4 mtp180 -109.75 119.73 40.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.671 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.83 137.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.996 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.625 ' HG ' ' HG3' ' B' ' 12' ' ' GLU . 66.4 m -114.91 144.54 43.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 176.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.26 108.42 15.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.969 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 71.28 -61.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.047 0.842 . . . . 0.0 111.33 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.36 -149.54 24.63 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 175.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 63.42 60.61 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.374 0.587 . . . . 0.0 112.238 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.2 -26.85 4.82 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.216 1.944 . . . . 0.0 111.227 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' B' ' 31' ' ' ARG . . . 43.76 78.78 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.773 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 95.3 mttt -91.89 157.55 16.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -79.02 128.53 33.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.036 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.34 134.03 44.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.866 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.582 HG12 HG12 ' B' ' 29' ' ' ILE . 52.4 mt -114.37 108.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.631 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.528 ' HA ' HD13 ' A' ' 57' ' ' ILE . 18.4 ptp180 -147.21 173.74 12.26 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.717 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.58 147.0 35.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.968 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -111.63 135.22 52.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.024 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.393 179.83 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 pttt . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.197 0.523 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.54 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . -177.49 -174.99 44.36 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.581 HD11 HG22 ' A' ' 43' ' ' ILE . 17.3 tt -136.93 133.53 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.225 0.536 . . . . 0.0 111.577 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -89.26 135.53 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.121 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -120.86 144.15 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.759 0.314 . . . . 0.0 110.708 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.4 m -79.77 168.0 19.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -56.2 -51.55 67.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.99 -49.3 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.136 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -57.0 -47.0 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.253 0.549 . . . . 0.0 110.629 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.479 ' O ' HG22 ' B' ' 68' ' ' VAL . 7.3 t80 -62.19 -51.58 67.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.493 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . 0.557 ' NE2' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.52 -38.68 72.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.704 176.506 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.0 m -60.14 -49.02 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.19 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 17.5 ptt? -64.64 -35.36 80.78 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.524 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.52 HG21 HD21 ' A' ' 75' ' ' LEU . 96.5 t -62.79 -57.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 0.0 110.477 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.9 -51.95 62.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.011 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 -50.95 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.132 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.48 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 14.8 m-85 -68.78 -28.86 67.15 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.698 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -63.35 -33.22 75.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.232 0.539 . . . . 0.0 110.068 174.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.98 25.38 26.55 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.446 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -141.1 -68.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.788 0.294 . . . . 0.0 111.383 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.452 HD23 HG23 ' A' ' 68' ' ' VAL . 36.8 tp -80.28 -25.57 39.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.141 -0.223 . . . . 0.0 111.333 -172.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 C--O 1.234 0.259 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.142 177.799 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 120.923 0.392 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' SER . 21.2 p90 -104.46 127.99 52.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 109.823 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -137.15 146.97 45.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.621 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.477 HD12 ' HZ2' ' A' ' 46' ' ' TRP . 64.3 mt -77.97 117.29 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.572 ' HG3' ' HB1' ' A' ' 39' ' ' ALA . 3.1 mm-40 -84.16 -44.89 13.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -155.28 127.17 7.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -78.88 116.08 18.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.89 -53.36 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.496 HD21 HD21 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -154.38 113.13 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 -174.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.6 m -88.9 106.69 18.56 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.496 HD21 HD21 ' A' ' 16' ' ' LEU . 89.1 mt -73.7 -67.17 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.064 -169.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -168.95 172.28 7.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -172.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 32.3 tt0 -117.34 124.05 47.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' N ' HD21 ' A' ' 21' ' ' ASN . 0.9 OUTLIER -94.34 128.35 40.78 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 53.97 28.82 9.11 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.648 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.513 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 52.5 88.89 0.03 OUTLIER 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.575 -175.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.23 -65.4 0.35 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.115 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -84.59 100.26 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.268 0.556 . . . . 0.0 110.621 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 6.8 m -86.93 139.76 30.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.141 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -113.73 122.72 47.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -139.28 151.55 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.491 0.662 . . . . 0.0 111.737 -171.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.482 HG12 HG12 ' A' ' 43' ' ' ILE . 63.0 mt -114.03 126.03 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.063 174.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.556 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -151.18 167.19 28.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.495 -173.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 51.4 mtp180 -99.63 125.92 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.721 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.9 t -113.33 130.54 67.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.048 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.47 ' HB2' ' CG ' ' A' ' 12' ' ' GLU . 39.5 t -90.21 127.1 36.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.717 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -109.04 108.43 19.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.423 ' CG ' ' H ' ' A' ' 36' ' ' GLY . 23.7 p-10 32.03 -86.45 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.242 1.417 . . . . 0.0 113.968 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' A' ' 35' ' ' ASN . . . -121.15 53.3 0.71 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.131 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . -148.78 148.93 29.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 122.067 0.147 . . . . 0.0 110.676 -178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 35.7 Cg_exo -61.11 142.94 98.56 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.825 2.35 . . . . 0.0 112.013 178.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.572 ' HB1' ' HG3' ' A' ' 12' ' ' GLU . . . -59.45 123.04 15.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.348 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 70.7 mmtt -92.03 178.62 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.867 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -102.14 123.01 45.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.49 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 36.5 t70 -129.52 124.93 35.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.974 0.416 . . . . 0.0 111.178 -175.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.482 HG12 HG12 ' A' ' 29' ' ' ILE . 60.1 mt -96.76 111.71 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.49 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 37.8 ttp-105 -138.44 158.01 45.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.186 0.517 . . . . 0.0 111.853 -165.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.77 143.8 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.79 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.477 ' HZ2' HD12 ' A' ' 11' ' ' ILE . 94.8 m95 -107.98 129.36 55.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.186 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.318 -0.761 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 pttp . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.408 0.623 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.46 -144.57 5.9 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.799 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.702 HD12 HG22 ' B' ' 43' ' ' ILE . 19.7 tt -153.88 130.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.24 0.543 . . . . 0.0 111.167 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.0 m -93.75 143.72 26.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.731 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -127.82 148.75 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 m -81.3 162.91 23.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.33 -45.43 76.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 62' ' ' GLU . 2.4 mp0 -57.67 -48.95 78.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.38 -42.58 92.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.575 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.487 ' O ' ' HG2' ' A' ' 67' ' ' MET . 26.0 t80 -63.9 -45.64 88.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.566 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -35.34 79.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.6 m -57.69 -52.21 66.39 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.341 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 17.9 ptt? -62.06 -39.96 94.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.602 0.239 . . . . 0.0 110.472 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.475 HG21 HD22 ' B' ' 75' ' ' LEU . 94.0 t -61.96 -47.89 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.879 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.88 -46.75 77.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.615 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -63.48 -41.86 98.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.434 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 74' ' ' ASN . 19.6 m-85 -75.36 -27.7 59.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.164 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.734 ' HG3' ' HE2' ' B' ' 72' ' ' LYS . 80.2 tttt -56.49 -40.01 74.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.91 39.28 2.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.952 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.464 ' HB3' ' HA ' ' A' ' 71' ' ' PHE . 3.7 t-20 -147.77 -75.34 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 111.56 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.503 ' HB3' HG13 ' B' ' 68' ' ' VAL . 22.3 tp -91.26 21.18 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.742 -169.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.486 ' HB3' ' HE3' ' B' ' 72' ' ' LYS . 3.8 pt-20 . . . . . 0 C--N 1.323 -0.551 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 172.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.638 ' HB ' ' HA ' ' B' ' 35' ' ' ASN . 27.9 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -157.7 136.61 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.901 0.382 . . . . 0.0 110.441 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -150.24 153.19 35.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.446 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.429 HD12 ' OD1' ' B' ' 30' ' ' ASN . 12.5 mm -93.76 102.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -83.34 -27.58 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -155.81 129.6 8.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.754 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -106.9 113.73 27.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.491 HD12 HG22 ' B' ' 29' ' ' ILE . 39.5 mt -57.37 -70.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 -167.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.615 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -158.07 146.17 18.69 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.154 0.502 . . . . 0.0 111.377 175.327 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 m -76.23 117.56 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.04 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.4 -58.94 3.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.774 0.321 . . . . 0.0 110.359 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.6 t -170.42 160.27 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -103.62 126.36 50.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.648 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.71 142.23 34.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.076 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.0 -19.63 32.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.913 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.12 -1.28 14.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.586 0.231 . . . . 0.0 111.359 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.32 26.81 27.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.568 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -115.5 158.64 22.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m -124.41 138.03 54.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.116 0.484 . . . . 0.0 111.053 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.482 ' HD2' HD11 ' A' ' 57' ' ' ILE . 35.8 ttpt -118.01 118.98 33.41 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 40.9 tt0 -140.0 152.6 46.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.714 -173.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.499 HG12 HG21 ' B' ' 43' ' ' ILE . 55.5 mt -101.92 123.16 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 173.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.46 HD21 ' H ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -131.36 174.77 9.74 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.997 -174.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.588 ' HG2' ' HB3' ' B' ' 39' ' ' ALA . 32.7 ttp85 -125.33 114.19 18.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 20.4 t -106.61 133.75 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.623 -169.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -83.75 103.15 12.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -91.75 112.34 24.22 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.428 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.638 ' HA ' ' HB ' ' B' ' 8' ' ' THR . 94.1 m-20 66.59 -70.7 0.1 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.273 0.983 . . . . 0.0 111.636 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.84 -136.7 8.85 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.25 54.8 13.31 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -85.25 -26.15 1.5 Allowed 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.784 1.656 . . . . 0.0 111.372 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.588 ' HB3' ' HG2' ' B' ' 31' ' ' ARG . . . 51.12 85.54 0.04 OUTLIER 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.56 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.12 158.71 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.767 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.566 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 46.7 m-85 -90.57 135.29 33.8 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -135.57 129.43 32.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.702 HG22 HD12 ' A' ' 57' ' ' ILE . 45.5 mt -109.39 115.03 48.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -142.74 163.05 33.86 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.489 0.662 . . . . 0.0 112.245 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.12 113.97 27.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.545 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -118.13 163.1 17.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.063 0.459 . . . . 0.0 111.489 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -177.459 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 121.252 0.548 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.455 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 168.77 -157.43 29.52 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -177.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 tt -158.84 135.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 117.542 0.671 . . . . 0.0 111.256 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 11.5 m -96.01 144.35 26.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.228 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -127.88 146.13 50.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.824 0.345 . . . . 0.0 110.477 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.512 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 6.3 m -85.27 173.87 10.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.398 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.566 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 5.2 p30 -54.06 -58.73 6.23 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.288 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.4 -42.72 96.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.336 . . . . 0.0 111.233 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.512 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 24.9 mt-10 -61.4 -48.27 81.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 -177.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.479 ' HD2' HD22 ' A' ' 75' ' ' LEU . 13.6 t80 -68.52 -38.72 81.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.414 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.37 -44.08 97.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.284 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.7 m -56.43 -44.95 80.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.416 ' HA ' ' CD1' ' A' ' 16' ' ' LEU . 57.1 ttp -59.22 -57.56 12.5 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.184 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 75' ' ' LEU . 82.6 t -56.57 -54.39 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.652 -176.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' B' ' 72' ' ' LYS . 31.1 t70 -58.35 -49.26 77.84 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.862 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 16' ' ' LEU . . . -63.92 -44.9 91.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.161 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -69.33 -42.49 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.734 ' HE2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.12 -26.48 68.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -175.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.43 8.49 64.38 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.576 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -126.04 -63.54 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.432 -0.452 . . . . 0.0 111.758 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 68' ' ' VAL . 55.7 tp -93.03 87.71 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 111.079 -174.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.875 0.369 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.502 ' HA ' ' O ' ' A' ' 33' ' ' SER . 39.5 p90 -107.2 136.06 47.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.418 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -128.18 126.8 41.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.888 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.49 HG12 HG21 ' A' ' 32' ' ' VAL . 52.4 mt -81.97 95.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 -50.41 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.788 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -127.19 151.95 48.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -118.51 137.89 52.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 29' ' ' ILE . 2.0 mm? -88.31 -70.11 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.837 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.422 HD13 ' HB1' ' B' ' 70' ' ' ALA . 1.6 pt? -169.36 167.73 9.93 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 m -99.9 130.25 46.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 171.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -53.71 5.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -160.06 153.38 22.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.147 0.499 . . . . 0.0 111.548 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.14 113.94 19.65 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -109.95 140.65 43.7 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 63.7 24.07 13.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 pttp 46.32 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.375 1.07 . . . . 0.0 112.562 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -47.5 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.009 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -77.36 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.017 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.457 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 24.5 m -105.91 138.12 42.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.314 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -123.18 117.51 25.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -144.82 169.96 17.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -173.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.722 HG21 HD21 ' A' ' 15' ' ' LEU . 52.9 mt -126.87 133.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.942 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.499 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -148.45 169.39 20.34 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.74 -174.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 70.7 mtp180 -108.11 116.0 31.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.645 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.49 HG21 HG12 ' A' ' 11' ' ' ILE . 15.8 t -122.5 135.63 61.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -176.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.519 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 18.0 m -96.9 104.4 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.191 175.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -89.91 92.71 9.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.604 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 61.28 19.67 10.35 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.519 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -135.46 173.24 21.82 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.703 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.434 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -81.47 -52.41 0.8 Allowed Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 59.1 Cg_endo -72.2 117.13 4.99 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.335 2.023 . . . . 0.0 112.859 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.86 108.67 12.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 60' ' ' SER . 30.6 mtmt -84.09 169.99 14.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -86.04 114.19 22.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.557 ' HB2' HG23 ' A' ' 58' ' ' THR . 8.5 t70 -109.59 123.77 50.0 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.54 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.722 HG23 HD13 ' B' ' 57' ' ' ILE . 35.1 mt -100.15 111.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -126.44 131.99 51.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.261 0.553 . . . . 0.0 111.964 -170.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.79 107.4 15.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.409 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 54.7 p-90 -108.78 145.18 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.284 0.564 . . . . 0.0 111.742 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.886 179.63 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -156.63 149.3 20.08 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.93 137.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.769 0.319 . . . . 0.0 110.699 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.557 HG23 ' HB2' ' A' ' 42' ' ' ASP . 51.6 p -98.54 121.55 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 0.0 110.739 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.9 146.56 27.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.027 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.532 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 8.5 m -80.28 159.97 25.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.489 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -51.2 -53.04 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.998 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.94 -40.11 95.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.473 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.64 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 109.774 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.507 ' O ' ' HG2' ' A' ' 67' ' ' MET . 4.1 t80 -65.75 -46.02 80.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.618 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -60.81 -38.89 86.94 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -55.26 -48.59 73.77 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.253 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.9 ptt? -69.68 -33.36 72.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.923 -177.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 64' ' ' PHE . 54.5 t -58.77 -52.7 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.219 -177.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.41 -38.82 91.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.532 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.54 72.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -79.74 -13.59 59.34 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.327 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.649 ' HE3' ' HG2' ' B' ' 76' ' ' GLU . 36.0 tttm -79.25 -18.84 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.495 0.664 . . . . 0.0 109.825 174.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.34 18.56 8.81 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.472 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.532 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 10.2 t30 -155.14 161.91 41.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.532 ' HB3' ' O ' ' A' ' 74' ' ' ASN . 27.7 tp 76.76 -60.2 0.47 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.421 0.45 . . . . 0.0 110.832 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CD ' ' HZ1' ' B' ' 72' ' ' LYS . 23.8 tt0 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.252 177.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -112.05 147.81 35.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -146.7 131.96 18.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.928 0.394 . . . . 0.0 111.107 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.511 HG13 HG23 ' B' ' 32' ' ' VAL . 4.0 mp -88.59 99.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -76.25 -59.13 2.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.078 -173.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.55 125.14 28.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -92.78 126.31 37.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -70.04 -68.29 0.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.335 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.44 ' O ' ' HG3' ' B' ' 28' ' ' GLU . 0.6 OUTLIER -155.52 152.37 28.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.193 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m -87.85 125.47 34.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.266 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.53 -55.46 5.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.922 0.391 . . . . 0.0 110.482 -177.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -169.13 179.79 3.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.528 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.26 109.44 11.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.488 ' N ' HD21 ' B' ' 21' ' ' ASN . 0.8 OUTLIER -95.99 135.6 37.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.427 -168.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 63.23 13.03 6.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.88 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? 56.23 71.56 0.55 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.229 0.537 . . . . 0.0 110.709 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.1 -34.86 0.49 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.08 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -107.56 103.21 12.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.146 0.498 . . . . 0.0 110.324 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.42 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 14.8 m -86.95 138.69 31.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -175.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.566 ' HD3' ' HB1' ' B' ' 45' ' ' ALA . 0.9 OUTLIER -106.05 115.64 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 44.0 tt0 -145.38 153.71 41.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.133 0.492 . . . . 0.0 111.698 -175.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.429 HG12 HG21 ' B' ' 43' ' ' ILE . 53.1 mt -108.74 114.8 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -136.93 156.6 48.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 0.0 111.004 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 20.4 mtm180 -90.75 126.44 36.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.788 0.328 . . . . 0.0 111.014 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.511 HG23 HG13 ' B' ' 11' ' ' ILE . 39.6 t -121.45 133.05 69.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.496 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -109.99 148.16 32.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.5 111.69 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.262 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 p30 49.1 24.2 0.88 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.566 1.147 . . . . 0.0 112.551 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.59 -161.08 20.11 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . 66.83 161.94 0.13 Allowed Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 122.944 0.497 . . . . 0.0 111.5 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.89 127.78 22.42 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.354 2.036 . . . . 0.0 111.786 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 125.27 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.014 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 90.4 mttt -87.61 165.87 15.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.407 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -85.59 114.56 22.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' B' ' 58' ' ' THR . 36.0 t70 -111.26 116.88 31.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.084 0.468 . . . . 0.0 110.831 -176.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.429 HG21 HG12 ' B' ' 29' ' ' ILE . 51.2 mt -91.12 105.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -146.26 149.03 33.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.546 0.689 . . . . 0.0 112.435 -168.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.566 ' HB1' ' HD3' ' B' ' 27' ' ' LYS . . . -98.98 124.95 44.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.509 173.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . 0.42 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 32.4 p-90 -108.56 146.11 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 110.9 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.986 -170.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 mttp . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.35 168.64 38.02 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.827 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.722 HD13 HG23 ' A' ' 43' ' ' ILE . 17.9 tt -143.9 136.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.094 0.474 . . . . 0.0 110.806 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' B' ' 42' ' ' ASP . 4.9 m -96.97 139.93 32.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -124.42 138.67 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.6 m -82.94 170.6 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -55.58 -46.52 77.24 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.8 -55.75 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.706 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -58.76 -39.46 81.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.758 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.497 ' O ' HG23 ' B' ' 68' ' ' VAL . 14.8 t80 -64.4 -53.09 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.195 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -30.28 68.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.306 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.9 m -59.93 -51.04 71.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.682 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.614 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 13.3 ptt? -66.73 -36.37 82.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.947 0.404 . . . . 0.0 110.116 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 64' ' ' PHE . 76.6 t -61.36 -40.31 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.139 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.05 -49.49 65.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.964 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.422 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -61.81 -52.48 64.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.186 -174.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 27.6 m-85 -68.48 -31.47 70.77 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.622 -177.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.592 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 80.9 tttt -54.49 -43.04 71.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.184 0.516 . . . . 0.0 110.673 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.36 26.12 25.59 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -136.01 -62.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.791 0.296 . . . . 0.0 111.427 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.463 HD22 HG22 ' A' ' 68' ' ' VAL . 14.7 tp -87.73 -0.19 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.003 0.43 . . . . 0.0 111.121 -171.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.649 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 8.2 tp10 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 170.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.039 0.447 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' SER . 38.0 p90 -145.0 139.37 27.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.646 178.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -137.22 152.74 50.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.64 0.257 . . . . 0.0 110.649 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.31 117.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.503 ' HG3' ' HB3' ' A' ' 39' ' ' ALA . 19.4 mm-40 -86.33 -44.32 12.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.355 0.598 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -154.36 145.07 22.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.596 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -103.29 123.22 46.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 29' ' ' ILE . 82.1 mt -77.07 -66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.496 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' B' ' 67' ' ' MET . 0.5 OUTLIER -160.85 141.19 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.508 . . . . 0.0 110.503 176.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.596 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 15.4 m -88.97 125.95 35.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.66 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.526 HD11 ' HD2' ' A' ' 27' ' ' LYS . 62.8 mt -79.53 -66.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.755 0.312 . . . . 0.0 110.673 -176.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.506 ' HG ' ' HG2' ' B' ' 63' ' ' GLU . 6.6 m -140.8 150.78 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.943 0.401 . . . . 0.0 110.97 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.37 112.0 24.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.179 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -76.07 127.82 33.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.91 -14.17 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 111.278 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -70.06 -13.2 62.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' SER . . . 106.92 32.22 3.62 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.832 176.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.425 ' HD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 m0 -135.73 117.5 15.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.668 0.271 . . . . 0.0 110.787 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -94.49 138.31 32.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.588 0.232 . . . . 0.0 110.521 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.526 ' HD2' HD11 ' A' ' 18' ' ' LEU . 3.9 tmmm? -113.61 115.55 28.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 19.6 pt-20 -143.18 176.07 9.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 43' ' ' ILE . 38.2 mt -119.4 118.48 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.43 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.47 164.51 22.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.023 0.439 . . . . 0.0 111.276 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.579 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 74.4 mtp180 -98.25 118.11 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 46.8 t -115.77 133.63 61.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 7.1 p -94.15 114.21 26.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.26 117.56 31.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.083 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 m120 61.78 25.65 15.46 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.89 -123.06 1.19 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.896 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.641 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -130.55 46.13 2.09 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 177.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.641 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 34.4 Cg_endo -98.87 86.85 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.468 2.112 . . . . 0.0 110.885 169.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.503 ' HB3' ' HG3' ' A' ' 12' ' ' GLU . . . -71.98 94.08 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.668 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 94.6 mttt -92.75 179.54 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.019 177.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -109.35 115.48 30.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 58' ' ' THR . 18.2 t70 -116.61 128.85 55.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 -176.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.677 HG22 HD12 ' B' ' 57' ' ' ILE . 24.8 mt -105.67 111.31 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.507 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 11.2 ttm180 -147.69 155.08 41.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.106 0.479 . . . . 0.0 111.908 -170.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.39 120.94 43.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.909 172.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -157.59 156.36 31.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.64 -177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 70.5 m . . . . . 0 CA--C 1.538 0.515 0 O-C-N 123.419 0.449 . . . . 0.0 111.156 171.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.894 ' HG3' ' HA ' ' B' ' 57' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.625 0.726 . . . . 0.0 111.969 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.507 ' HA3' ' HG3' ' A' ' 44' ' ' ARG . . . -166.91 118.71 0.81 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.8 tt -145.14 143.81 21.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.164 0.507 . . . . 0.0 111.399 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 3.0 m -92.79 142.75 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.139 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.0 mt -116.0 140.91 48.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -79.71 163.09 24.79 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -57.09 -46.2 82.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.23 -45.96 89.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.639 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.29 -39.47 94.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 110.287 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.612 ' O ' HG21 ' A' ' 68' ' ' VAL . 2.1 t80 -64.08 -51.92 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.456 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.22 -35.08 71.15 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 111.261 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -59.24 -50.52 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -70.57 -24.62 62.8 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 -178.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.612 HG21 ' O ' ' A' ' 64' ' ' PHE . 75.8 t -57.65 -57.09 11.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.873 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 20.2 t70 -61.91 -46.18 90.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.993 0.425 . . . . 0.0 111.018 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB2' HD12 ' B' ' 16' ' ' LEU . . . -53.76 -56.15 20.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.157 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' HB2' ' HE3' ' B' ' 72' ' ' LYS . 50.7 m-85 -83.62 -1.25 53.49 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.959 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.873 ' HE2' ' HA ' ' A' ' 69' ' ' ASP . 22.4 ttpt -77.19 -24.52 51.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.55 19.56 26.17 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.911 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 43.1 t-20 -148.53 122.5 9.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.52 HD23 HG23 ' B' ' 68' ' ' VAL . 59.6 tp 74.37 -67.97 0.23 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.701 0.626 . . . . 0.0 111.015 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 111.921 -179.694 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -108.34 129.94 55.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.158 0.504 . . . . 0.0 110.514 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.525 ' HB2' ' HB2' ' B' ' 33' ' ' SER . 6.8 mm-40 -112.93 122.51 47.84 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.4 mm -90.58 90.36 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.43 -35.87 22.75 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.274 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -158.75 142.59 15.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.065 0.46 . . . . 0.0 111.333 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.459 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.3 OUTLIER -106.68 142.89 35.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.506 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.608 HD22 HG23 ' B' ' 29' ' ' ILE . 2.4 mm? -72.4 -54.08 10.4 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 1.6 pt? -164.5 159.17 19.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.902 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.578 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 32.0 m -99.98 121.67 41.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.46 175.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.04 -63.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 p 178.87 167.77 0.92 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.734 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 14.0 pt-20 -110.9 138.94 46.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -110.82 148.93 31.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.669 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 64.93 9.05 5.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.739 0.65 . . . . 0.0 111.529 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 tptm 55.35 95.8 0.02 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 110.538 -173.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.8 -48.25 0.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.059 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -81.84 88.04 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.163 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 22.0 m -86.73 137.97 32.01 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.979 -178.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.424 ' HB3' ' HE2' ' B' ' 27' ' ' LYS . 35.8 ttpt -127.67 127.91 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.578 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 17.2 pt-20 -156.69 -176.91 6.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 110.966 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.665 HG12 HG12 ' B' ' 43' ' ' ILE . 53.4 mt -120.09 130.27 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.433 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.459 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.1 OUTLIER -141.6 176.22 9.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.513 0.197 . . . . 0.0 111.084 -175.345 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.409 ' HB3' ' CB ' ' B' ' 39' ' ' ALA . 46.6 mtm105 -111.49 117.85 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.263 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 t -107.45 121.89 60.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.613 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' B' ' 10' ' ' GLU . 0.8 OUTLIER -84.2 110.03 18.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -93.33 137.32 32.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.882 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 72.32 -68.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.878 0.736 . . . . 0.0 111.233 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.12 48.28 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . -140.75 172.97 5.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -174.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 2.1 Cg_endo -43.22 143.34 2.18 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 123.2 2.6 . . . . 0.0 112.553 173.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -77.06 140.83 40.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.803 -173.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.646 ' HZ3' ' HB3' ' B' ' 40' ' ' LYS . 9.8 mtpm? -101.13 154.94 18.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.135 176.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -74.91 125.47 28.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -131.57 133.11 44.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.91 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.665 HG12 HG12 ' B' ' 29' ' ' ILE . 56.2 mt -108.55 114.82 47.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -144.24 169.36 18.04 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.882 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.59 150.04 31.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.746 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -107.32 125.17 50.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.855 -179.335 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.339 0.59 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.61 -146.88 12.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.894 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 18.7 tt -143.1 138.66 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.15 0.5 . . . . 0.0 111.244 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.71 140.63 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.305 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.0 mt -123.76 138.11 54.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.292 0.568 . . . . 0.0 110.407 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.747 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 20.3 m -83.54 171.46 13.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.101 175.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.98 -55.66 32.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.6 0.238 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.35 -35.06 79.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.95 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.747 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 30.3 mt-10 -62.79 -50.3 71.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.195 0.521 . . . . 0.0 109.962 177.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.548 ' O ' HG21 ' B' ' 68' ' ' VAL . 31.9 t80 -59.8 -46.82 88.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -53.27 -46.22 69.16 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 69.1 m -56.88 -48.13 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.511 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -70.81 -34.72 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.553 -175.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.775 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 69.0 t -59.1 -64.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.264 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.84 -37.09 80.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 0.0 111.17 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.48 57.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.471 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.477 ' CD2' ' HE1' ' A' ' 67' ' ' MET . 27.1 m-85 -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.775 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 34.0 mmtt -69.66 -25.46 63.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.87 30.7 8.43 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.745 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -150.89 -59.82 0.18 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.84 0.32 . . . . 0.0 111.117 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.457 HD21 HG23 ' A' ' 68' ' ' VAL . 29.6 tp -78.17 -19.25 54.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.369 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.917 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -152.76 134.29 14.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.0 0.429 . . . . 0.0 111.026 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -140.23 153.43 46.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.994 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.526 HG12 HG21 ' A' ' 32' ' ' VAL . 51.8 mt -92.98 115.94 32.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.565 ' OE2' ' HB2' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -91.42 -23.5 20.01 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.654 -175.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -157.34 141.93 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 111.113 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -101.22 116.39 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.507 HD11 HG23 ' A' ' 29' ' ' ILE . 92.4 mt -65.66 -58.98 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -176.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.8 153.92 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 m -102.14 123.29 45.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.97 -57.3 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.035 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 p -167.79 -179.49 4.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.29 0.567 . . . . 0.0 112.164 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -122.48 116.01 23.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.558 173.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -106.64 152.32 23.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.414 0.626 . . . . 0.0 112.495 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 61.43 -89.29 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.317 168.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -131.31 26.8 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 111.417 -173.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.64 3.76 23.55 Favored Glycine 0 CA--C 1.506 -0.494 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.743 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -64.48 104.61 0.81 Allowed 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 1.6 p -85.68 136.4 33.38 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.421 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -120.0 116.13 25.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.962 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -141.83 175.89 9.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.06 0.457 . . . . 0.0 111.147 -173.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 15' ' ' LEU . 54.5 mt -125.19 114.9 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.909 176.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.68 168.0 18.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 17.3 mtm180 -108.72 124.44 50.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 11' ' ' ILE . 50.4 t -109.34 120.78 61.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -176.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 8.1 p -82.55 109.28 16.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.93 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.578 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 94.3 m-85 -87.77 124.24 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.843 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 p30 48.52 22.64 0.51 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.417 1.087 . . . . 0.0 113.169 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.54 -93.75 0.54 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.515 173.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.533 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -65.72 -55.75 21.69 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' O ' ' A' ' 34' ' ' PHE . 16.0 Cg_exo -67.54 95.15 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.483 2.122 . . . . 0.0 113.287 -173.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -97.58 98.83 10.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -99.71 174.5 6.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -88.38 136.76 32.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -138.46 121.39 16.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.668 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.495 HG12 HG12 ' A' ' 29' ' ' ILE . 56.3 mt -103.77 120.68 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -140.64 135.91 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -112.83 106.92 15.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.131 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -114.41 147.12 39.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.167 0.508 . . . . 0.0 112.168 -172.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.729 178.768 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.929 0.395 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.77 -175.2 33.56 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.415 HD11 HG21 ' B' ' 43' ' ' ILE . 20.9 tt -149.54 139.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -85.77 129.72 34.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.137 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.18 168.14 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.19 0.519 . . . . 0.0 111.313 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.0 m -127.18 178.33 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.197 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.25 -42.2 99.15 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 111.355 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.02 -49.93 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.5 0.667 . . . . 0.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.446 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -61.16 -45.1 96.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.031 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.643 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -58.86 -49.7 76.75 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.007 -179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -58.79 -42.49 89.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.31 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -57.7 -47.05 83.45 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.448 0.468 . . . . 0.0 110.634 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.587 ' HE1' ' HA ' ' A' ' 64' ' ' PHE . 39.7 mtm -58.5 -36.97 74.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.015 0.436 . . . . 0.0 110.652 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 64' ' ' PHE . 59.3 t -61.57 -56.52 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.483 -176.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.38 -43.42 66.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.089 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' CB ' HD22 ' B' ' 16' ' ' LEU . . . -63.06 -49.56 74.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.595 -176.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -74.77 -15.28 60.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 111.032 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 68' ' ' VAL . 81.1 tttt -67.42 -33.17 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.88 -16.61 18.85 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.197 -178.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.489 ' C ' HD21 ' A' ' 74' ' ' ASN . 0.2 OUTLIER -93.65 -53.31 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.139 0.469 . . . . 0.0 111.521 -176.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.521 HD23 ' HD2' ' B' ' 64' ' ' PHE . 21.2 tp -95.67 126.9 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 0.0 111.325 -172.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.572 ' HB2' ' NE2' ' B' ' 65' ' ' GLN . 4.3 tp10 . . . . . 0 N--CA 1.465 0.303 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.613 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' B' ' 33' ' ' SER . 22.4 p90 -109.64 126.86 54.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.42 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -151.51 153.14 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.88 128.05 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.881 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.719 ' HG3' ' HG ' ' B' ' 33' ' ' SER . 44.2 mm-40 -105.57 -34.51 7.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.761 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -153.07 139.03 18.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.665 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -112.36 133.86 54.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.531 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.24 -53.95 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.623 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.547 HD11 HD22 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -131.27 99.12 4.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.752 -170.428 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -81.36 97.57 7.77 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.547 HD22 HD11 ' B' ' 16' ' ' LEU . 90.4 mt -67.32 -68.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.076 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p 174.86 -174.95 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.81 0.693 . . . . 0.0 109.211 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.532 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 11.8 pt-20 -108.66 139.56 43.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.556 HD21 ' HG3' ' B' ' 22' ' ' GLU . 2.6 p-10 -116.15 156.46 26.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.151 0.5 . . . . 0.0 111.066 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.556 ' HG3' HD21 ' B' ' 21' ' ' ASN . 30.3 mt-10 59.01 20.09 7.88 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.558 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 62.16 98.83 0.03 OUTLIER 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.943 0.777 . . . . 0.0 111.451 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 -44.26 1.51 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.199 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -84.0 103.55 13.33 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.443 0.621 . . . . 0.0 110.412 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 4.8 m -86.54 138.29 31.84 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.039 -174.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.885 ' HZ3' ' HB3' ' B' ' 27' ' ' LYS . 6.1 ttpm? -128.65 120.67 26.98 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.484 -173.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -142.97 158.42 43.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.8 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.65 HG12 HG12 ' B' ' 43' ' ' ILE . 43.9 mt -104.99 109.97 29.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -131.47 -176.9 4.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 74.6 mtp180 -110.94 116.1 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.53 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -104.94 123.1 58.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.719 ' HG ' ' HG3' ' B' ' 12' ' ' GLU . 49.7 m -84.81 131.78 34.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.152 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.44 101.04 10.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.173 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 70.23 -73.6 0.09 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.254 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.18 -82.95 1.58 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.576 -170.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.96 ' H ' ' HD2' ' B' ' 38' ' ' PRO . . . -132.44 -46.48 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -172.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.96 ' HD2' ' H ' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -48.97 112.23 0.61 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 123.083 2.522 . . . . 0.0 113.784 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -106.46 98.52 8.18 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.693 174.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 15.7 tptt -86.26 166.27 15.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.746 -173.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -90.37 129.94 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . 0.486 ' CG ' ' HE ' ' B' ' 44' ' ' ARG . 7.9 t0 -142.37 139.77 31.83 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.461 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.65 HG12 HG12 ' B' ' 29' ' ' ILE . 41.9 mt -95.84 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.486 ' HE ' ' CG ' ' B' ' 42' ' ' ASP . 7.6 mmt180 -113.61 139.68 48.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.186 0.517 . . . . 0.0 112.297 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.47 107.46 16.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.828 170.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -107.96 151.29 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.406 0.622 . . . . 0.0 111.433 -174.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.211 -175.314 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.4 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -167.91 -179.2 40.37 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 43' ' ' ILE . 15.4 tt -147.7 127.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 0.0 110.699 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.0 m -86.86 135.81 33.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.568 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 81.2 mt -127.72 140.57 51.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -91.16 162.21 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -56.86 -38.28 72.5 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.36 -50.65 72.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.23 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -67.37 -35.14 78.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.966 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.559 ' O ' HG22 ' B' ' 68' ' ' VAL . 2.5 t80 -59.38 -50.55 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.408 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . 0.572 ' NE2' ' HB2' ' A' ' 76' ' ' GLU . 6.7 tp-100 -65.82 -30.83 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.775 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.6 m -55.0 -47.87 74.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.643 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 20.7 ptt? -71.94 -37.73 69.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.843 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.666 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 95.5 t -58.67 -57.99 8.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.764 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.59 -46.84 83.53 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 120.744 0.307 . . . . 0.0 111.618 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -41.42 86.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 0.0 111.403 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.537 ' HB3' HG21 ' A' ' 68' ' ' VAL . 20.7 m-30 -76.2 -15.05 60.12 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 28.1 mmtm -71.44 -32.43 68.33 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 171.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.21 -41.3 6.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.111 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -75.35 -61.27 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.817 0.309 . . . . 0.0 111.507 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.459 ' HB2' HG22 ' A' ' 68' ' ' VAL . 5.6 mp -88.69 162.72 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.468 0.47 0 O-C-N 123.928 0.768 . . . . 0.0 110.044 -176.673 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 35' ' ' ASN . 19.1 p . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -109.1 120.29 42.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.468 0.652 . . . . 0.0 111.042 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.697 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 2.8 mp0 -105.14 111.58 24.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.16 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -88.62 103.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -99.46 -32.64 11.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.271 -169.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 10.7 tp10 -143.82 141.14 30.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.625 0.25 . . . . 0.0 111.095 -172.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -107.26 99.04 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.65 -66.88 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 111.743 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.506 HD13 ' HB1' ' B' ' 70' ' ' ALA . 0.9 OUTLIER -134.38 114.63 13.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -171.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.6 m -87.24 107.12 18.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD21 HD21 ' A' ' 16' ' ' LEU . 91.7 mt -71.43 -74.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.631 -177.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -165.66 162.5 18.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.912 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -105.57 141.78 36.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.227 0.536 . . . . 0.0 109.967 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -105.97 131.24 53.51 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.021 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 60.88 21.0 11.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.235 174.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.42 95.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.502 0.501 . . . . 0.0 111.222 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.47 -43.36 1.34 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.034 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.472 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 61.2 m95 -84.37 91.82 7.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.084 0.442 . . . . 0.0 110.056 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.494 ' HB ' ' HD1' ' A' ' 46' ' ' TRP . 17.1 m -85.89 137.19 32.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.385 -172.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -121.78 116.03 23.74 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.164 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.14 163.9 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.391 0.615 . . . . 0.0 111.435 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.592 HG12 HG12 ' A' ' 43' ' ' ILE . 58.3 mt -107.08 117.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.211 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -133.11 179.73 6.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 22.1 mtp85 -113.99 119.49 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 -177.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.79 131.4 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.963 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.697 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 23.3 t -95.84 146.93 24.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -123.21 112.27 17.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.791 0.329 . . . . 0.0 110.713 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' HA ' ' OG1' ' A' ' 8' ' ' THR . 8.4 m120 64.53 22.96 12.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.514 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.8 81.15 0.77 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.198 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -152.84 175.08 3.16 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.494 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.2 Cg_exo -50.22 126.36 17.17 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.87 1.713 . . . . 0.0 111.199 171.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 112.41 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.038 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -82.71 172.0 13.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.656 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.458 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 30.2 m-85 -101.98 114.86 29.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.137 -173.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -117.3 133.87 55.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.096 0.474 . . . . 0.0 110.605 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.592 HG12 HG12 ' A' ' 29' ' ' ILE . 39.4 mt -113.65 104.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.545 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.56 ' HB3' ' HA3' ' A' ' 56' ' ' GLY . 18.7 ptp180 -141.9 176.6 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 112.005 -175.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.19 152.88 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.494 ' HD1' ' HB ' ' A' ' 26' ' ' THR . 66.7 m95 -108.13 130.96 55.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.234 0.25 0 O-C-N 123.665 0.603 . . . . 0.0 110.515 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt . . . . . 0 C--O 1.235 0.328 0 CA-C-O 121.365 0.603 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.56 ' HA3' ' HB3' ' A' ' 44' ' ' ARG . . . -179.06 153.53 12.57 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.574 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 13.9 tt -120.47 132.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.219 0.533 . . . . 0.0 111.118 -174.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -95.76 130.29 42.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.435 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.26 147.56 41.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.0 p -82.71 173.68 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.189 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.458 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 7.9 t30 -60.11 -43.48 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -56.49 -53.92 51.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.623 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.598 ' HG2' ' HG ' ' B' ' 19' ' ' SER . 36.5 mt-10 -60.89 -44.54 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.443 ' O ' HG21 ' A' ' 68' ' ' VAL . 18.0 t80 -64.76 -48.34 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.265 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -65.33 -37.69 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -54.26 -53.21 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.436 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.431 ' O ' ' HD2' ' A' ' 71' ' ' PHE . 20.6 ptt? -64.28 -37.47 87.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.657 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.496 HG23 HD23 ' B' ' 75' ' ' LEU . 56.0 t -58.83 -50.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.044 -178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 12.7 t70 -74.98 -40.81 60.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.043 0.449 . . . . 0.0 110.972 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.46 96.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.277 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.524 ' CE2' HD12 ' B' ' 29' ' ' ILE . 52.6 m-85 -78.16 -32.31 50.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.661 ' HB2' ' HG3' ' B' ' 72' ' ' LYS . 0.0 OUTLIER -65.89 -24.78 66.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.345 179.607 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.68 11.49 72.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.971 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.455 ' C ' HD21 ' A' ' 74' ' ' ASN . 0.2 OUTLIER -140.06 -50.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.528 0.664 . . . . 0.0 111.516 -176.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 75' ' ' LEU . 35.7 tp -120.11 21.18 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.591 0.234 . . . . 0.0 111.585 -171.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.679 ' HB2' ' HE2' ' B' ' 72' ' ' LYS . 12.7 pt-20 . . . . . 0 C--N 1.327 -0.405 0 O-C-N 122.017 -0.427 . . . . 0.0 110.765 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' B' ' 33' ' ' SER . 32.9 p90 -106.82 123.43 48.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -117.37 145.86 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.734 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.0 mt -88.8 99.11 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -86.25 -32.22 21.25 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.27 137.6 16.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.153 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -105.45 108.23 19.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.452 HD13 HG21 ' B' ' 29' ' ' ILE . 94.5 mt -72.94 -71.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.398 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -165.33 150.03 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.695 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.621 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 56.1 m -91.28 134.66 34.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.44 -53.33 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.598 ' HG ' ' HG2' ' A' ' 63' ' ' GLU . 83.4 p -170.45 157.99 6.24 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.473 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -127.05 103.29 7.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 171.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -116.8 176.74 4.98 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.355 0.597 . . . . 0.0 112.427 -171.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 70.69 -80.22 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.397 175.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -158.06 22.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.76 -0.08 5.75 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.961 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -75.06 96.81 3.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.872 0.844 . . . . 0.0 109.708 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' B' ' 45' ' ' ALA . 5.4 m -92.81 138.81 31.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.908 -172.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.434 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -119.33 120.77 37.91 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 174.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.621 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 11.5 pt-20 -155.56 171.42 19.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 111.162 178.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.753 HG12 HG12 ' B' ' 43' ' ' ILE . 47.5 mt -113.56 132.83 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.537 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.436 ' N ' HD21 ' B' ' 30' ' ' ASN . 0.1 OUTLIER -141.75 175.16 9.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -174.424 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.0 mtp85 -111.6 105.73 14.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.701 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.97 126.54 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 63.0 p -97.36 147.38 24.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -115.99 108.05 15.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.797 177.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 62.86 -80.59 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.084 0.865 . . . . 0.0 111.839 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.84 17.07 3.94 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.897 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' B' ' 39' ' ' ALA . . . -71.08 154.23 94.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 C-N-CA 121.986 0.114 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 14.01 0.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.973 2.449 . . . . 0.0 113.215 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . 70.31 132.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.703 0.801 . . . . 0.0 112.314 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 33.4 mmtp -102.22 172.27 6.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.21 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -107.16 114.34 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . 0.486 ' OD1' ' HB2' ' B' ' 44' ' ' ARG . 3.1 p30 -129.21 148.86 51.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 -178.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.753 HG12 HG12 ' B' ' 29' ' ' ILE . 33.2 mt -97.38 106.32 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.727 175.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.486 ' HB2' ' OD1' ' B' ' 42' ' ' ASP . 6.8 ttm180 -123.86 165.92 16.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.049 0.452 . . . . 0.0 111.333 -170.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' B' ' 26' ' ' THR . . . -117.87 132.76 56.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.691 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -108.85 152.52 24.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--N 1.327 -0.379 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.66 -173.086 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.574 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 14.9 ptpt . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.784 0.326 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 135.08 49.53 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.7 tt -120.39 137.47 54.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.101 0.477 . . . . 0.0 111.089 -170.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.405 HG22 ' HB3' ' B' ' 42' ' ' ASP . 12.8 m -93.59 143.89 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.455 -174.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.29 148.05 46.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.792 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.1 p -85.84 169.25 13.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.63 -44.28 81.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 0.0 111.144 -176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -64.32 -47.76 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.636 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.12 -43.69 97.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.305 0.574 . . . . 0.0 110.351 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.514 ' O ' ' HG2' ' B' ' 67' ' ' MET . 23.3 t80 -60.4 -48.25 82.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -55.68 -44.02 76.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.81 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.488 ' HA ' ' OD2' ' B' ' 69' ' ' ASP . 23.4 m -61.73 -42.91 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.238 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 12.9 ptt? -65.37 -33.12 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.01 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 64' ' ' PHE . 85.8 t -67.32 -50.51 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.488 ' OD2' ' HA ' ' B' ' 66' ' ' THR . 1.9 p30 -75.0 -38.42 61.61 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.767 -173.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.506 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -69.68 -40.77 76.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.418 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.41 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 9.9 m-85 -71.24 -30.96 66.96 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.896 177.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.679 ' HE2' ' HB2' ' A' ' 76' ' ' GLU . 6.3 ttmt -58.97 -37.74 77.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.175 0.512 . . . . 0.0 110.112 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.56 18.49 57.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -133.44 -77.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.05 0.425 . . . . 0.0 111.056 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.496 HD23 HG23 ' A' ' 68' ' ' VAL . 54.0 tp -72.33 121.16 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.755 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.332 -0.192 0 O-C-N 124.206 0.941 . . . . 0.0 111.224 177.317 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.445 -0.685 0 CA-C-O 121.029 0.442 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' SER . 25.6 p90 -120.02 119.86 34.64 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.069 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.52 153.37 48.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.421 -176.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.5 mt -96.39 91.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.237 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -77.54 -45.0 26.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.583 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -139.26 138.3 36.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.345 0.593 . . . . 0.0 111.922 -173.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.36 142.42 27.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.615 171.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 29' ' ' ILE . 95.6 mt -87.02 -54.35 4.38 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' B' ' 67' ' ' MET . 1.1 pt? -166.29 135.26 3.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.983 173.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.532 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 41.0 m -83.75 119.71 25.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.68 -77.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.659 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -165.0 166.91 18.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.134 0.492 . . . . 0.0 110.328 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 33.5 tt0 -92.24 146.29 23.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.312 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -112.43 158.46 19.82 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.5 mp0 -51.96 150.66 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.74 0.65 . . . . 0.0 112.39 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 1.5 mptm? 74.19 5.7 4.68 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.296 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 60.61 1.66 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.043 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -134.67 109.15 8.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 5.4 m -85.42 138.21 32.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 7.1 ttpm? -125.14 125.77 44.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.947 0.403 . . . . 0.0 110.056 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 21.1 pt-20 -148.74 172.53 14.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.957 -175.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.498 HG21 HD11 ' A' ' 15' ' ' LEU . 52.8 mt -112.95 123.49 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.442 ' H ' HD21 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -136.25 175.08 9.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.251 -171.278 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -114.74 124.77 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.592 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.08 130.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.453 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.532 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 46.1 m -95.05 144.59 25.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.166 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.11 98.21 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.573 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 m120 54.73 25.48 6.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.325 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -170.42 174.61 44.42 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.783 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.466 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.22 -47.43 20.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 75.2 Cg_exo -48.7 104.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.948 2.432 . . . . 0.0 112.965 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB2' ' OG ' ' A' ' 33' ' ' SER . . . -104.6 121.46 43.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.787 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -97.35 174.58 6.63 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.502 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 24.4 m-85 -81.71 135.49 35.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.407 -167.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -144.36 134.78 24.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.424 HG21 HD13 ' B' ' 57' ' ' ILE . 56.4 mt -111.6 118.0 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ttp-105 -147.68 150.2 33.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.229 0.538 . . . . 0.0 111.745 -171.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.89 132.98 54.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.335 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -156.84 154.49 29.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.583 0.23 . . . . 0.0 111.147 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 CA--C 1.538 0.503 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 175.073 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mttp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.159 0.504 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.85 150.27 21.6 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.6 127.71 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.365 0.602 . . . . 0.0 110.844 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.9 m -97.03 132.66 42.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.35 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.24 146.4 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.974 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.585 ' HB2' ' OE1' ' A' ' 63' ' ' GLU . 14.5 m -86.0 168.99 13.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.512 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 25.0 p-10 -55.33 -41.43 72.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.089 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.91 -58.56 7.46 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.585 ' OE1' ' HB2' ' A' ' 60' ' ' SER . 1.8 mp0 -60.09 -43.94 95.17 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.473 ' O ' ' HG2' ' A' ' 67' ' ' MET . 24.0 t80 -64.7 -45.07 88.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.45 ' OE1' ' HB3' ' B' ' 76' ' ' GLU . 6.2 tp-100 -62.68 -45.01 94.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.248 175.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.7 m -58.53 -47.48 84.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 11.4 ptt? -61.92 -37.37 84.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.329 . . . . 0.0 110.177 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 HD22 ' B' ' 75' ' ' LEU . 29.2 t -65.17 -40.69 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.731 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.94 -50.96 72.08 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.325 0.583 . . . . 0.0 109.744 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.37 94.48 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.431 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -73.7 -26.14 60.57 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 17.0 pttm -85.55 -4.94 59.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.652 173.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.92 -12.63 55.17 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.002 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -144.34 -171.27 3.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 117.555 0.677 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' CD2' HG22 ' B' ' 68' ' ' VAL . 32.3 tp 69.57 -63.97 0.36 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.674 0.789 . . . . 0.0 111.985 175.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 121.939 0.876 . . . . 0.0 109.384 177.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.445 -0.675 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.456 ' HB2' ' CG1' ' B' ' 32' ' ' VAL . 38.5 p90 -125.29 145.7 49.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.812 -178.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -130.85 143.86 51.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.909 0.385 . . . . 0.0 110.571 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -79.57 103.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.53 ' HG3' ' HB3' ' B' ' 39' ' ' ALA . 63.3 mm-40 -72.01 -43.7 64.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.456 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -147.05 114.42 6.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.442 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.478 HD13 HG22 ' B' ' 29' ' ' ILE . 96.0 mt -75.11 -63.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.455 -174.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 75.5 mt -143.99 143.84 31.4 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.502 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 17.0 m -106.38 102.53 11.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 166.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.481 HD13 HD13 ' B' ' 29' ' ' ILE . 68.4 mt -81.48 -58.33 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -169.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -157.75 165.17 36.06 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.741 -0.784 . . . . 0.0 112.946 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 0.2 OUTLIER -132.9 129.71 38.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 164.481 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.46 ' HB3' ' HB2' ' B' ' 25' ' ' TRP . 28.5 t-20 -95.09 124.54 39.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.939 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.443 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 12.7 mm-40 54.21 34.92 21.37 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 124.005 0.816 . . . . 0.0 110.014 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.7 tttp 42.36 73.34 0.14 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.238 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.6 -60.53 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.198 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.46 ' HB2' ' HB3' ' B' ' 21' ' ' ASN . 81.0 m95 -82.85 96.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.982 0.42 . . . . 0.0 109.924 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.554 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 75.7 p -86.59 168.74 13.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.475 -175.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.47 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 8.0 ttpm? -146.83 113.72 6.12 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.502 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 5.3 mp0 -124.05 166.49 15.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.149 -173.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.481 HD13 HD13 ' B' ' 18' ' ' LEU . 62.0 mt -127.61 133.36 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.079 176.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.481 ' N ' HD21 ' B' ' 30' ' ' ASN . 0.1 OUTLIER -157.48 161.15 38.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -176.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.486 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 60.8 mtm180 -98.19 125.93 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.435 174.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' B' ' 9' ' ' PHE . 47.1 t -117.75 135.73 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.259 -174.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.3 p -103.14 139.43 38.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.806 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -111.83 107.28 16.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 62.13 -78.81 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.828 0.705 . . . . 0.0 111.495 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.2 35.93 1.13 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.31 153.26 41.28 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 147.66 55.82 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.041 2.494 . . . . 0.0 112.331 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.53 ' HB3' ' HG3' ' B' ' 12' ' ' GLU . . . -63.73 119.68 10.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.708 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -105.63 168.49 9.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.741 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.55 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 75.7 m-85 -96.3 130.29 43.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -119.07 120.07 36.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.103 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.435 HD11 HG21 ' B' ' 29' ' ' ILE . 18.8 mm -106.23 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -146.02 144.95 30.4 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.171 -168.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -100.72 148.63 24.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.969 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -125.23 145.08 50.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.2 p . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.453 179.623 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.728 0.299 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.74 179.39 40.62 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.648 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 43' ' ' ILE . 19.7 tt -139.42 137.11 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.058 0.456 . . . . 0.0 110.817 -178.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 19.4 m -93.02 131.57 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.55 140.13 45.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.073 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.8 m -74.72 159.29 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.201 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.55 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 9.9 m120 -60.08 -38.62 83.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -177.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -70.16 -46.97 63.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.459 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.93 -38.69 86.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.311 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -63.92 -46.25 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.426 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -58.7 -40.78 84.64 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 109.818 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.5 m -58.67 -50.73 72.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.643 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.528 ' HA ' HD13 ' A' ' 16' ' ' LEU . 9.4 ptt? -64.54 -39.79 94.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.657 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 42.6 t -61.52 -43.41 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.23 -176.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.608 ' HA ' ' HG2' ' B' ' 72' ' ' LYS . 36.8 t70 -66.48 -35.55 80.56 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.063 0.459 . . . . 0.0 110.659 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.88 74.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -81.39 -32.56 32.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.663 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.608 ' HG2' ' HA ' ' B' ' 69' ' ' ASP . 9.5 ptmm? -72.43 -15.3 61.83 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.53 37.5 1.62 Allowed Glycine 0 CA--C 1.522 0.512 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.707 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' B' ' 72' ' ' LYS . 24.6 t-20 76.89 96.98 0.07 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.849 0.86 . . . . 0.0 112.518 175.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.505 HD22 HG23 ' A' ' 68' ' ' VAL . 16.6 tp -107.02 -48.9 3.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.451 172.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.45 ' HB3' ' OE1' ' A' ' 65' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.332 -175.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -130.72 141.22 50.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.894 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -143.5 144.23 31.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.19 123.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 0.0 110.502 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.07 -56.92 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -146.27 121.07 9.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.663 -171.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -95.54 129.62 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 172.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 mt -94.83 -34.93 12.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.85 -169.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' B' ' 70' ' ' ALA . 0.8 OUTLIER -152.45 116.51 4.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -171.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.623 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 52.2 m -92.13 116.76 29.22 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.445 HD23 HD23 ' A' ' 16' ' ' LEU . 95.3 mt -88.87 -68.78 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.966 -171.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -152.32 174.76 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.501 0.667 . . . . 0.0 112.671 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -124.76 114.41 19.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.446 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.552 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 15.9 m120 -96.18 177.81 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.495 -172.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.33 140.05 5.87 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.702 -1.136 . . . . 0.0 112.118 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 tptp 73.24 7.2 5.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.531 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.92 27.68 25.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.364 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.0 m0 -88.19 105.89 17.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.7 m -85.84 138.21 32.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.899 0.381 . . . . 0.0 110.079 -174.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.552 ' HE3' ' OD1' ' A' ' 21' ' ' ASN . 37.4 ttmt -118.51 120.3 37.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.801 -175.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.623 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 15.2 pt-20 -157.8 169.23 25.08 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.415 0.626 . . . . 0.0 111.514 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.498 HG12 HG22 ' A' ' 43' ' ' ILE . 67.4 mt -109.84 124.61 66.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.336 -175.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 14' ' ' HIS . 7.2 p30 -143.57 174.57 10.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.997 0.427 . . . . 0.0 111.436 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 69.3 mtp180 -114.71 123.4 49.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.184 178.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.53 132.98 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 t -92.98 125.84 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.48 98.59 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.588 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 65.52 -82.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.982 0.801 . . . . 0.0 110.819 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.18 66.95 0.4 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . . . -143.09 159.09 57.23 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 37' ' ' ALA . 10.5 Cg_endo -54.81 129.76 36.89 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.623 2.215 . . . . 0.0 111.844 177.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -56.68 108.77 0.53 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.421 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.728 ' HB2' ' HZ1' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -81.7 148.96 28.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.113 -175.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -76.89 128.76 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.236 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.439 ' CG ' HH21 ' A' ' 44' ' ' ARG . 10.1 t70 -137.12 123.4 20.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.958 0.409 . . . . 0.0 110.582 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.714 HG23 HD12 ' B' ' 57' ' ' ILE . 55.6 mt -100.86 105.18 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.439 HH21 ' CG ' ' A' ' 42' ' ' ASP . 13.4 ptp180 -139.31 156.35 47.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 112.26 -170.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.86 121.18 40.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.228 -0.897 . . . . 0.0 108.918 168.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -108.03 173.26 6.4 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.735 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.562 -170.047 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 121.992 0.901 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.547 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -175.72 170.63 43.64 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.593 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.8 tt -145.76 141.02 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 117.273 0.537 . . . . 0.0 111.258 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.479 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 6.1 m -90.18 135.36 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.94 153.53 35.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.152 0.501 . . . . 0.0 111.048 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -85.05 162.89 19.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.036 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -57.15 -42.95 81.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.198 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -59.74 -47.38 85.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.094 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HB3' HD12 ' B' ' 18' ' ' LEU . 38.6 mt-10 -64.63 -43.98 91.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.807 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.554 ' HD2' HD22 ' B' ' 75' ' ' LEU . 7.0 t80 -57.76 -51.39 69.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.65 -176.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -62.14 -38.2 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.6 m -59.41 -46.65 88.11 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.62 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 23.2 ptt? -67.7 -34.62 77.26 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.396 -177.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 64' ' ' PHE . 90.8 t -57.97 -50.17 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.803 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.43 -40.84 89.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.254 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.72 96.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.481 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -88.1 -10.08 51.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.121 0.486 . . . . 0.0 110.892 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HZ3' ' CD ' ' B' ' 76' ' ' GLU . 77.9 tttt -66.27 -33.44 75.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 171.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.97 -43.52 2.6 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.874 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 34.4 m-80 -99.95 154.48 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -177.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' A' ' 74' ' ' ASN . 39.2 tp 73.99 -39.62 0.43 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.188 0.595 . . . . 0.0 111.559 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.49 0.662 . . . . 0.0 109.26 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -105.89 119.22 38.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.143 0.497 . . . . 0.0 110.002 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -100.27 127.16 46.61 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.5 mt -81.5 103.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -75.92 -66.6 0.77 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.558 -174.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.467 ' HB3' HH11 ' B' ' 31' ' ' ARG . 37.2 tt0 -151.56 131.82 13.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.964 -173.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -81.03 116.01 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.481 HD12 HG23 ' B' ' 29' ' ' ILE . 41.1 mt -70.45 -54.86 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.347 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -165.44 153.63 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.654 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.435 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 21.7 m -98.8 136.43 38.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.819 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 63' ' ' GLU . 87.7 mt -92.31 -69.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.736 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -170.56 -177.37 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 12.6 pt-20 -114.75 136.12 53.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.562 0.696 . . . . 0.0 110.202 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 8.9 t30 -94.97 141.94 28.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.658 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 59.28 -91.27 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.141 0 O-C-N 124.283 0.99 . . . . 0.0 109.704 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -158.76 110.06 2.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 173.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.62 -20.14 46.54 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.508 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.446 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 50.1 m95 -76.56 81.23 3.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 117.814 0.807 . . . . 0.0 109.63 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 18.1 m -85.07 137.47 33.03 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.224 0.535 . . . . 0.0 110.761 -169.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' A' ' 58' ' ' THR . 2.8 ttmp? -115.19 121.65 43.62 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.47 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.435 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 0.1 OUTLIER -144.7 171.58 14.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.595 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.523 HG12 HG12 ' B' ' 43' ' ' ILE . 37.7 mt -119.35 117.21 53.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.19 159.37 33.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.225 0.535 . . . . 0.0 110.707 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.467 HH11 ' HB3' ' B' ' 13' ' ' GLU . 13.4 ttm105 -93.2 119.21 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.09 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -110.97 135.2 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.912 0.386 . . . . 0.0 110.716 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -103.67 106.6 17.16 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -88.58 119.62 29.21 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.306 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 72.26 -62.1 0.47 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.135 0.897 . . . . 0.0 112.61 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.45 -147.61 8.55 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.854 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.711 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -79.92 -37.18 1.09 Allowed Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.711 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 10.0 Cg_endo -51.14 104.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.501 2.134 . . . . 0.0 112.822 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.425 ' CB ' ' HD3' ' B' ' 31' ' ' ARG . . . -88.84 142.45 27.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.668 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -119.72 176.97 5.13 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' B' ' 59' ' ' LEU . 29.8 m-85 -122.29 113.8 19.92 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -122.44 134.51 54.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.236 0.541 . . . . 0.0 111.06 -171.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.523 HG12 HG12 ' B' ' 29' ' ' ILE . 56.0 mt -91.19 114.43 28.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.366 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -123.5 148.9 45.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.374 0.607 . . . . 0.0 112.005 -173.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.97 127.07 51.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.048 172.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -108.25 124.62 50.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.042 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.112 179.373 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 121.141 0.496 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.32 -140.47 7.13 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.714 HD12 HG23 ' A' ' 43' ' ' ILE . 15.6 tt -141.82 135.6 29.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -89.75 139.27 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.26 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' B' ' 41' ' ' PHE . 90.4 mt -135.51 131.81 36.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.127 0.489 . . . . 0.0 110.795 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.0 p -91.63 179.43 5.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.118 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.18 -52.88 62.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.629 -173.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.09 -44.72 91.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.286 -176.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.457 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 45.1 mt-10 -62.32 -44.45 96.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.251 0.548 . . . . 0.0 110.44 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.465 ' O ' HG23 ' B' ' 68' ' ' VAL . 9.3 t80 -69.56 -45.45 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.873 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -43.06 86.77 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 177.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.1 m -58.03 -40.38 80.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.438 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.463 ' HB3' ' O ' ' B' ' 64' ' ' PHE . 13.7 tmm? -57.77 -41.41 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.625 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 64' ' ' PHE . 90.6 t -60.47 -63.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.249 -175.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.45 -36.02 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.466 ' HB2' HD13 ' A' ' 16' ' ' LEU . . . -63.52 -48.06 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.484 ' HB3' HG23 ' A' ' 68' ' ' VAL . 12.8 m-85 -76.0 -30.61 58.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.22 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.406 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 76.7 tttt -50.2 -39.67 44.91 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.817 0.698 . . . . 0.0 110.629 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.1 41.98 2.05 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.331 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -141.77 -40.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.554 HD22 ' HD2' ' A' ' 64' ' ' PHE . 5.5 mp -101.25 -172.46 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.597 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' B' ' 75' ' ' LEU . 33.3 tt0 . . . . . 0 N--CA 1.462 0.143 0 O-C-N 124.173 0.921 . . . . 0.0 110.181 -176.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.445 -0.702 0 CA-C-O 121.022 0.439 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.596 ' HA ' ' O ' ' A' ' 33' ' ' SER . 48.5 p90 -147.41 131.06 16.87 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -153.81 144.36 22.42 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.68 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.526 HG12 HG23 ' A' ' 32' ' ' VAL . 62.7 mt -75.92 105.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.115 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.56 -50.5 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.994 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -133.2 146.9 51.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.54 113.69 26.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.532 HD12 HG23 ' A' ' 29' ' ' ILE . 95.2 mt -68.56 -70.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.549 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.89 137.76 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 176.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.536 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 11.4 m -73.43 137.42 44.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.637 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 79.7 mt -93.67 -80.26 0.39 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.776 0.322 . . . . 0.0 110.569 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.495 ' HB2' ' HB3' ' B' ' 63' ' ' GLU . 59.1 m -162.45 156.72 21.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.756 -175.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 0.7 OUTLIER -101.24 145.12 29.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.296 0.569 . . . . 0.0 110.764 176.35 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.89 145.13 42.52 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.25 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.419 ' HB3' ' HD1' ' A' ' 25' ' ' TRP . 24.2 tt0 62.97 17.84 10.4 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.011 0.434 . . . . 0.0 111.38 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt 57.17 90.39 0.04 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.4 -46.94 1.04 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.148 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.495 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 83.7 m95 -77.11 91.63 3.71 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 15.7 m -86.18 137.8 32.37 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.013 0.435 . . . . 0.0 110.544 -173.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HG3' HD12 ' B' ' 57' ' ' ILE . 14.9 ttmm -104.61 116.72 32.55 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.536 ' HG3' ' HA ' ' A' ' 17' ' ' THR . 36.1 tt0 -137.7 152.23 49.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.964 -177.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 15' ' ' LEU . 53.1 mt -109.82 113.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.174 0.512 . . . . 0.0 109.946 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -121.12 176.44 5.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.308 -176.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -120.79 124.71 45.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.245 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.526 HG23 HG12 ' A' ' 11' ' ' ILE . 46.0 t -115.25 131.11 68.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.596 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 27.2 t -83.71 133.07 34.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -122.53 97.62 5.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.735 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 51.47 85.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.742 0.651 . . . . 0.0 112.484 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.6 -107.73 0.64 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.836 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.934 ' H ' ' HD2' ' A' ' 38' ' ' PRO . . . -148.61 -42.48 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.934 ' HD2' ' H ' ' A' ' 37' ' ' ALA . 9.3 Cg_endo -52.63 105.71 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.721 2.28 . . . . 0.0 112.693 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.28 98.59 11.04 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.736 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -74.74 163.22 27.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -87.08 132.96 33.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.812 -173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.469 ' OD2' ' HD2' ' A' ' 44' ' ' ARG . 15.1 t70 -130.89 109.93 10.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.272 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.503 HG21 HG12 ' A' ' 29' ' ' ILE . 53.0 mt -91.0 105.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HD2' ' OD2' ' A' ' 42' ' ' ASP . 17.4 ttt85 -127.03 156.35 41.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.345 0.593 . . . . 0.0 112.385 -163.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.83 137.38 42.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.654 171.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.495 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 29.9 m95 -107.85 136.38 47.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.141 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.358 -179.026 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 167.77 157.53 11.03 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.707 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.538 ' HB ' ' HA2' ' B' ' 56' ' ' GLY . 16.7 tt -154.54 131.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.938 0.399 . . . . 0.0 110.443 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 p -88.0 134.67 33.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 HD13 ' HD1' ' A' ' 64' ' ' PHE . 79.1 mt -118.8 137.3 53.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.151 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB2' ' HG3' ' A' ' 63' ' ' GLU . 6.3 m -73.91 161.55 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -53.74 -49.12 68.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.404 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.81 -46.64 87.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' A' ' 60' ' ' SER . 32.2 mt-10 -64.46 -42.77 95.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.725 -176.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.591 ' O ' ' HG3' ' A' ' 67' ' ' MET . 43.2 t80 -63.76 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.138 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -44.22 90.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.652 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 85.6 m -53.91 -43.96 70.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.032 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -73.6 -29.71 62.55 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.259 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.504 HG22 HD21 ' B' ' 75' ' ' LEU . 35.3 t -63.61 -46.12 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.724 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -74.56 -32.83 62.54 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.259 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.27 77.94 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.497 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.492 ' HB3' HG12 ' B' ' 68' ' ' VAL . 26.2 m-85 -75.05 -17.02 60.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.869 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 79.0 tttt -65.15 -33.33 75.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.529 0.68 . . . . 0.0 109.286 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.47 -27.49 43.14 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.7 -176.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -128.37 171.48 11.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.753 0.777 . . . . 0.0 111.887 -173.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.454 HD21 HG22 ' B' ' 68' ' ' VAL . 25.6 tp 72.36 -8.83 1.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.742 0.817 . . . . 0.0 112.069 176.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.59 0.709 . . . . 0.0 111.076 -178.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -124.61 120.42 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.137 0.494 . . . . 0.0 110.13 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.97 114.43 26.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.001 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.416 HD12 ' N ' ' B' ' 11' ' ' ILE . 3.7 mp -74.19 104.03 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -89.03 -65.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.362 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.404 ' CD ' HH21 ' B' ' 31' ' ' ARG . 38.5 tt0 -128.52 147.34 50.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.118 -170.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -105.13 113.1 26.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.512 HD13 HG22 ' B' ' 29' ' ' ILE . 97.2 mt -70.35 -57.97 4.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.5 138.56 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.547 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.923 HG22 ' HG2' ' B' ' 28' ' ' GLU . 91.6 m -86.15 114.44 23.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 67' ' ' MET . 94.5 mt -67.34 -71.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -179.27 161.01 1.06 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.86 -174.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -103.17 140.11 37.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.234 0.54 . . . . 0.0 110.168 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -92.57 144.43 25.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.85 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 58.19 -92.29 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 O-C-N 124.168 0.917 . . . . 0.0 109.593 -172.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -172.09 84.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -34.91 1.8 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.972 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -72.62 83.21 1.14 Allowed 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.3 m -86.12 137.26 32.8 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.136 -171.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.713 ' HZ3' ' HB3' ' B' ' 27' ' ' LYS . 7.3 ttpm? -128.29 117.28 21.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.104 -171.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.923 ' HG2' HG22 ' B' ' 17' ' ' THR . 24.6 mt-10 -134.35 163.81 28.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.67 -172.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.512 HG22 HD13 ' B' ' 15' ' ' LEU . 51.4 mt -117.74 116.02 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -123.34 -176.16 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.544 . . . . 0.0 111.23 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 33.9 mtm180 -126.82 101.93 6.81 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.192 168.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.3 t -106.97 135.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.05 0.452 . . . . 0.0 111.132 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -90.54 136.24 33.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.285 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.61 121.6 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.829 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 63.33 -82.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.894 0.746 . . . . 0.0 111.292 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.04 10.85 1.38 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.2 154.64 51.97 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.37 158.08 32.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.583 2.188 . . . . 0.0 112.31 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' B' ' 31' ' ' ARG . . . -61.42 118.98 7.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.058 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 69.8 mmtt -101.55 161.57 13.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.383 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.426 ' HD1' HD11 ' B' ' 15' ' ' LEU . 8.6 m-85 -85.07 114.79 22.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 -173.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -116.51 141.19 48.5 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.189 0.519 . . . . 0.0 111.067 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.528 HG22 HD12 ' A' ' 57' ' ' ILE . 55.7 mt -104.83 104.6 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 45.0 ttt180 -114.81 128.76 56.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.64 -168.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.28 108.58 14.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . 0.515 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 31.5 p-90 -108.39 133.87 51.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.214 0.53 . . . . 0.0 111.365 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.535 179.613 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.5 mttt . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.538 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 153.56 -162.96 30.57 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -176.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.476 HG23 HG22 ' A' ' 57' ' ' ILE . 12.1 tt -151.55 142.93 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.099 0.449 . . . . 0.0 111.041 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.2 m -106.0 142.21 36.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mp -120.69 148.31 44.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.489 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 33.0 t -96.86 -173.39 2.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.972 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -64.06 -49.59 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -66.34 -57.09 8.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 2.5 pm0 -61.54 -35.45 77.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.744 -176.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.73 -45.84 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.836 0.351 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -32.65 74.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -63.31 -50.29 70.62 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.178 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -67.45 -37.74 83.43 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.821 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.492 HG12 ' HB3' ' A' ' 71' ' ' PHE . 42.1 t -60.77 -55.6 23.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.181 -176.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -52.76 -46.79 67.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 123.319 0.387 . . . . 0.0 110.715 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.82 -58.93 6.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.4 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -67.38 -30.25 69.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.169 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.869 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 44.5 tttm -59.54 -28.06 66.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.244 0.545 . . . . 0.0 110.175 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.07 81.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.73 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -158.37 -178.08 7.02 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.915 1.357 . . . . 0.0 112.814 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.504 HD21 HG22 ' A' ' 68' ' ' VAL . 50.4 tp 71.42 -57.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.568 1.147 . . . . 0.0 113.245 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.802 0.334 . . . . 0.0 110.209 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.442 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 45.4 p90 -120.44 138.78 53.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.181 0.515 . . . . 0.0 111.215 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.4 145.95 41.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.954 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.74 122.43 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.189 0.518 . . . . 0.0 110.958 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 14.2 mm-40 -88.59 -50.51 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.863 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.501 ' OE1' ' HD3' ' A' ' 31' ' ' ARG . 51.4 tt0 -146.35 144.73 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.787 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -96.91 116.34 29.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 29' ' ' ILE . 92.8 mt -71.54 -55.54 7.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.075 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.512 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.0 OUTLIER -169.05 144.45 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.203 175.018 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -84.52 110.09 18.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.47 HD12 ' HG2' ' A' ' 27' ' ' LYS . 88.8 mt -62.13 -75.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.461 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 66.6 m -165.83 155.63 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 35.1 tt0 -100.2 132.05 45.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.624 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.73 123.21 44.61 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.502 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 41.67 42.58 2.12 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.687 1.242 . . . . 0.0 113.547 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 63.05 106.04 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.841 0.713 . . . . 0.0 111.731 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.89 -48.54 0.93 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.951 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -78.65 79.97 5.04 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.134 0.467 . . . . 0.0 110.241 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.496 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 5.9 m -91.89 137.73 32.13 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.736 -173.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.702 ' HE2' ' HB3' ' B' ' 59' ' ' LEU . 4.2 ttmp? -116.95 125.57 51.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.706 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.7 tt0 -147.98 152.59 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.215 -175.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.499 HG12 HG21 ' A' ' 43' ' ' ILE . 50.4 mt -109.47 123.33 65.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -124.14 161.59 25.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 0.0 111.768 -170.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.632 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 42.5 mtp-105 -99.93 108.62 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 168.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 53.0 t -114.12 132.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -173.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 p -89.22 132.39 34.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -113.71 101.09 8.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -173.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 t30 57.59 30.31 18.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.165 169.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.76 -16.54 23.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.305 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.42 149.48 75.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 157.93 14.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.955 2.437 . . . . 0.0 112.802 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.494 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -66.93 106.56 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.071 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.632 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 8.8 mtpm? -84.37 162.82 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.738 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.4 ' HD1' HD12 ' A' ' 15' ' ' LEU . 44.6 m-85 -91.08 112.91 25.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -137.4 140.22 41.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.968 0.413 . . . . 0.0 110.764 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.499 HG21 HG12 ' A' ' 29' ' ' ILE . 59.6 mt -98.74 130.18 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.113 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -147.07 172.25 14.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.363 0.602 . . . . 0.0 111.497 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.66 135.71 46.01 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.496 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 38.5 p-90 -111.17 131.42 55.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.532 0.682 . . . . 0.0 110.704 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.014 -175.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt . . . . . 0 C--O 1.237 0.407 0 CA-C-O 121.26 0.553 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.78 -159.39 31.34 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.469 HD12 HG21 ' B' ' 43' ' ' ILE . 19.2 tt -133.16 134.13 57.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.071 0.462 . . . . 0.0 110.457 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 p -94.45 138.88 31.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.335 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -128.02 147.73 50.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.297 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.633 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 40.1 t -77.99 153.27 32.57 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 170.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.18 -32.64 66.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.26 0.553 . . . . 0.0 110.665 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.04 -44.71 60.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.63 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.633 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 46.4 mt-10 -63.07 -40.17 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.25 0.548 . . . . 0.0 109.866 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.531 ' O ' ' HG3' ' A' ' 67' ' ' MET . 32.3 t80 -59.71 -52.82 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.297 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -58.35 -37.11 74.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.691 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.3 m -57.26 -50.74 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.404 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.531 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -71.35 -33.13 69.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.734 -178.727 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.508 HG23 HD22 ' B' ' 75' ' ' LEU . 78.0 t -60.43 -51.59 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.98 0.419 . . . . 0.0 110.451 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.96 -43.88 91.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.657 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.15 -45.32 73.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.97 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CE1' ' HZ ' ' B' ' 64' ' ' PHE . 17.2 m-85 -74.32 -24.55 59.23 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.71 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 48.1 tttm -75.13 -25.94 58.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.46 . . . . 0.0 109.906 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.25 -49.9 4.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.137 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.443 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -90.17 -167.37 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.847 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 16.8 tp 51.36 -151.87 0.23 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.351 0.407 . . . . 0.0 110.011 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.847 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 18.1 tp10 . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 121.961 0.886 . . . . 0.0 109.425 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.541 ' HA ' ' O ' ' B' ' 33' ' ' SER . 39.1 p90 -153.42 142.44 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -143.94 151.25 39.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.407 HD11 ' N ' ' B' ' 11' ' ' ILE . 3.7 mp -75.54 109.68 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.43 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 0.8 OUTLIER -80.97 -45.23 16.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.079 -176.365 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.443 ' HB3' ' HD3' ' B' ' 31' ' ' ARG . 39.7 tt0 -161.94 117.9 2.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -89.25 121.8 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 0.0 109.676 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.65 -52.9 4.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.761 -172.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.493 HD13 HD22 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -132.38 102.92 5.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -174.121 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -84.84 94.63 8.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 172.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.493 HD22 HD13 ' B' ' 16' ' ' LEU . 90.7 mt -68.51 -75.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.424 -171.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -171.1 171.65 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.807 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -110.92 139.58 46.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.654 0.74 . . . . 0.0 110.26 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -81.79 164.54 21.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.078 -176.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -45.35 -38.09 5.5 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -81.62 12.2 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.313 . . . . 0.0 111.535 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.72 22.77 65.91 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -93.87 127.84 39.83 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 -174.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.23 137.27 32.75 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -173.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -127.83 117.72 22.36 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -146.97 171.99 14.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.754 0.788 . . . . 0.0 112.099 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.489 HG12 HG23 ' B' ' 43' ' ' ILE . 69.2 mt -124.8 126.02 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.493 -1.231 . . . . 0.0 109.653 178.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.1 172.96 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.313 0.578 . . . . 0.0 112.52 -173.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 16.4 mtp180 -100.54 128.76 46.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.87 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 37.0 t -121.03 135.61 60.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.541 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 11.1 p -88.8 121.98 31.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -109.71 114.34 27.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 p30 44.8 33.67 1.03 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.513 1.125 . . . . 0.0 113.764 173.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.26 -138.28 6.36 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.313 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.652 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -70.48 -46.99 19.05 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.9 Cg_endo -52.35 107.17 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.027 2.485 . . . . 0.0 113.795 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.43 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -115.15 105.76 13.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 171.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 11.4 ptmm? -119.77 -179.5 3.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.184 0.516 . . . . 0.0 112.035 -170.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.524 ' HE2' HD21 ' B' ' 59' ' ' LEU . 23.0 t80 -83.61 128.29 34.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.57 -178.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . 0.431 ' OD2' HG23 ' B' ' 58' ' ' THR . 4.6 m-20 -142.92 137.26 29.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.395 . . . . 0.0 110.928 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.489 HG23 HG12 ' B' ' 29' ' ' ILE . 15.7 mt -103.31 128.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -141.36 150.46 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.45 -171.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.89 109.46 12.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.863 167.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 7.5 p-90 -116.79 160.85 20.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.087 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.174 -176.38 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.5 -166.81 35.5 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.9 tt -155.24 138.02 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 117.063 0.432 . . . . 0.0 110.507 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.431 HG23 ' OD2' ' B' ' 42' ' ' ASP . 68.9 p -102.78 126.32 49.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.017 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.702 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.6 pt? -146.03 168.75 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.54 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 p -88.96 166.19 14.08 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.2 -24.07 62.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 110.625 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -60.11 -51.46 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.93 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.461 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 37.1 mt-10 -64.06 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.461 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.581 ' CE2' HD22 ' A' ' 75' ' ' LEU . 7.1 t80 -59.63 -59.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.881 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -30.86 64.61 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.648 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -60.7 -50.48 73.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.347 177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.512 ' HA ' HD11 ' A' ' 16' ' ' LEU . 15.3 ptt? -67.8 -37.96 82.68 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.922 0.391 . . . . 0.0 110.198 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.519 HG21 HD21 ' A' ' 75' ' ' LEU . 75.3 t -62.01 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.882 -177.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.787 ' HA ' ' HE2' ' B' ' 72' ' ' LYS . 23.9 t70 -57.33 -49.68 75.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.202 176.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.426 ' CB ' HD12 ' A' ' 16' ' ' LEU . . . -62.58 -44.93 95.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.425 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.8 m-85 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 -178.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.787 ' HE2' ' HA ' ' B' ' 69' ' ' ASP . 27.9 ttpt -61.95 -31.24 71.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.211 0.529 . . . . 0.0 110.075 173.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.5 -1.16 81.29 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.884 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.525 ' HB3' HD11 ' B' ' 75' ' ' LEU . 5.1 m-20 -127.12 -178.37 4.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.809 0.305 . . . . 0.0 110.946 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' B' ' 74' ' ' ASN . 6.7 mp 47.03 -145.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.656 0.598 . . . . 0.0 111.788 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.671 ' HG3' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.199 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.16 173.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.016 0.436 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -108.11 126.22 52.51 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.75 139.58 52.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.048 0.451 . . . . 0.0 111.307 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 11' ' ' ILE . 3.6 mp -87.99 97.2 6.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -87.43 -29.87 21.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.224 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 9.2 tp10 -125.29 141.01 52.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -175.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -118.42 121.57 40.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.403 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 29' ' ' ILE . 44.7 mt -81.28 -56.11 4.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.542 HD13 ' CB ' ' B' ' 70' ' ' ALA . 1.1 pt? -173.34 154.21 2.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.366 172.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.557 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 32.1 m -99.06 112.56 24.66 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 170.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.524 HD11 ' HG2' ' A' ' 27' ' ' LYS . 37.9 mt -62.0 -70.08 0.21 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.471 -174.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.472 ' HG ' ' HG3' ' B' ' 63' ' ' GLU . 53.1 p -171.94 176.85 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -94.9 131.72 40.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.46 153.99 32.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.87 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 63.06 11.53 5.26 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.199 174.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mttp 58.83 78.75 0.24 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.384 0.611 . . . . 0.0 110.554 -178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.5 -46.55 0.92 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.227 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -85.59 121.46 28.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.577 0.227 . . . . 0.0 110.535 -175.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -87.16 136.98 32.72 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.949 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.789 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 39.8 ttmt -106.07 118.08 35.7 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.557 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 10.8 pt-20 -156.69 170.56 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.089 0.471 . . . . 0.0 111.552 -173.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.542 HG21 HD13 ' A' ' 15' ' ' LEU . 17.9 mt -128.11 132.23 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.875 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -144.37 -178.38 5.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.301 -176.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.545 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 35.0 mtm180 -117.34 123.28 46.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 175.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -103.11 132.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.6 t -100.44 127.05 46.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.538 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.86 104.07 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.146 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.22 23.27 12.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.143 175.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.97 75.42 1.28 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.067 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -156.93 166.42 16.68 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 88.6 Cg_exo -47.8 123.29 8.21 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.53 2.153 . . . . 0.0 111.772 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.82 125.37 29.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.404 -173.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -99.16 150.11 22.39 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 1.7 p90 -83.33 144.47 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.157 0.503 . . . . 0.0 111.081 -173.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.576 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 7.5 t70 -138.74 135.25 34.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.361 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.538 HG23 HG12 ' A' ' 29' ' ' ILE . 43.6 mt -112.99 111.39 35.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.219 -177.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.871 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 63.9 mtt180 -146.34 175.46 10.52 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.715 0.769 . . . . 0.0 112.026 -178.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.36 127.05 53.22 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.684 165.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.73 144.31 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.442 0.639 . . . . 0.0 111.149 -170.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.249 -174.349 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 pttm . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.141 0.496 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.871 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . 175.12 -147.14 8.77 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.394 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.627 ' HB ' ' CA ' ' B' ' 56' ' ' GLY . 19.1 tt -146.96 134.07 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.022 0.439 . . . . 0.0 111.521 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.0 m -97.22 129.97 44.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.607 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -127.59 168.93 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 0.0 111.212 -170.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.83 146.0 31.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.019 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 64' ' ' PHE . 24.2 p-10 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.468 -172.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.83 -51.21 43.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.754 ' HB3' ' HB3' ' B' ' 18' ' ' LEU . 2.9 mp0 -63.54 -25.37 68.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.161 0.505 . . . . 0.0 110.446 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 2.5 t80 -59.25 -52.09 67.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.938 173.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.42 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.496 177.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.0 m -58.98 -53.57 56.92 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.45 ' HB3' HD23 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -72.12 -35.81 69.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.05 -175.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.493 HG22 HD23 ' B' ' 75' ' ' LEU . 48.7 t -58.66 -41.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.036 0.446 . . . . 0.0 110.781 177.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.29 -42.24 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.055 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.61 -49.35 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.584 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.476 ' HB3' HG21 ' B' ' 68' ' ' VAL . 35.8 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.379 -177.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.834 ' HZ1' ' HB3' ' A' ' 72' ' ' LYS . 6.1 ttpm? -60.92 -34.38 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.072 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.67 -48.72 79.62 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.967 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -174.22 123.64 0.31 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.016 0.436 . . . . 0.0 111.716 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.474 HD21 HG22 ' B' ' 68' ' ' VAL . 27.3 tp -133.65 -62.11 0.79 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.353 179.285 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.235 0.54 . . . . 0.0 110.431 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.29 125.02 50.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -81.67 97.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.483 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 12.5 mm-40 -64.77 -57.17 9.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.929 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -166.52 152.66 8.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.657 -175.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -99.96 127.31 46.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.449 HD11 HG23 ' B' ' 29' ' ' ILE . 89.7 mt -71.82 -55.24 7.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -161.42 144.12 12.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.453 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -86.0 119.25 26.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.517 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.754 ' HB3' ' HB3' ' A' ' 63' ' ' GLU . 79.2 mt -74.4 -57.13 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.919 0.39 . . . . 0.0 110.354 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -161.46 169.4 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.607 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 31.6 tt0 -144.38 104.27 4.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.034 0.445 . . . . 0.0 110.32 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -77.81 123.7 27.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.227 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 61.12 12.12 3.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.181 175.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.607 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . 50.5 tttm 64.0 19.14 11.62 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.78 0.8 . . . . 0.0 110.254 -177.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.69 -42.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.006 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.467 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 46.8 m95 -102.4 91.28 4.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 0.0 110.49 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.635 ' HB ' ' HB2' ' B' ' 46' ' ' TRP . 3.3 m -86.19 157.07 20.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -129.94 117.56 20.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.88 156.31 42.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -169.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.494 HG12 HG22 ' B' ' 43' ' ' ILE . 56.0 mt -111.61 122.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.282 175.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.503 ' N ' HD21 ' B' ' 30' ' ' ASN . 0.1 OUTLIER -137.15 167.32 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.743 0.306 . . . . 0.0 111.135 -172.675 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -108.76 124.5 50.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -121.67 129.58 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -96.11 123.8 39.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.416 ' C ' ' H ' ' B' ' 36' ' ' GLY . 98.0 m-85 -105.8 117.39 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.944 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 72.81 -28.29 0.19 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' B' ' 34' ' ' PHE . . . 145.17 -6.57 1.54 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.611 -176.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.66 147.5 86.9 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.7 131.8 24.87 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 0.0 112.123 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.483 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -57.01 123.42 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.534 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.523 ' HG3' ' HA ' ' B' ' 60' ' ' SER . 13.7 mptt -89.33 176.2 7.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.727 175.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -103.9 114.0 27.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -110.81 129.66 55.79 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.947 0.403 . . . . 0.0 111.085 -174.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.494 HG22 HG12 ' B' ' 29' ' ' ILE . 22.8 mt -110.85 108.7 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.537 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.757 ' HB2' ' HA ' ' B' ' 55' ' ' LYS . 30.4 ptt-85 -154.0 -171.65 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.212 -177.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.98 161.91 15.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.705 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . 0.635 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 98.5 m95 -107.99 147.55 30.93 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 172.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.315 -0.916 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -176.882 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.757 ' HA ' ' HB2' ' B' ' 44' ' ' ARG . 48.3 pttt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.323 0.582 . . . . 0.0 111.901 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.627 ' CA ' ' HB ' ' A' ' 57' ' ' ILE . . . -145.99 -102.31 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.077 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.467 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 20.9 tt -152.65 144.39 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.194 0.521 . . . . 0.0 111.295 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.3 m -95.65 133.89 39.18 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.554 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.546 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 34.8 mt -110.61 142.07 42.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.531 ' HB2' ' OE1' ' B' ' 63' ' ' GLU . 3.6 m -84.31 175.5 9.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -55.61 -39.22 70.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.848 0.356 . . . . 0.0 111.081 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.14 -59.35 4.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.197 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.789 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 2.0 mp0 -56.06 -42.85 77.29 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 111.098 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.555 ' O ' ' HG3' ' B' ' 67' ' ' MET . 8.9 t80 -64.78 -52.16 58.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.261 -173.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -64.17 -33.49 75.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.061 0.458 . . . . 0.0 110.594 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.9 m -61.17 -46.01 92.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.555 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -71.34 -29.08 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -177.573 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.476 HG21 ' HB3' ' A' ' 71' ' ' PHE . 46.4 t -59.71 -58.99 4.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.935 0.398 . . . . 0.0 111.218 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.459 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 34.6 t70 -59.47 -43.53 93.21 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.151 0.501 . . . . 0.0 110.973 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.542 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -63.46 -50.0 71.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.937 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.482 ' HB3' HG11 ' A' ' 68' ' ' VAL . 11.0 m-85 -67.27 -26.23 66.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.535 0.207 . . . . 0.0 111.516 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 22.2 ttpp -59.14 -39.51 82.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.162 171.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.82 -35.15 7.35 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.389 -0.91 . . . . 0.0 113.267 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.71 -70.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.493 HD23 HG22 ' A' ' 68' ' ' VAL . 53.1 tp -71.67 -62.7 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 33' ' ' SER . 36.6 p90 -154.59 154.84 33.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.152 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -158.39 146.56 18.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.569 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.516 HG12 HG23 ' A' ' 32' ' ' VAL . 59.2 mt -86.37 109.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.776 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.1 pt-20 -81.79 -43.26 18.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 8.5 tp10 -156.92 156.29 32.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.129 0.49 . . . . 0.0 111.562 -174.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -110.45 130.21 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.035 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.507 HD13 HG21 ' A' ' 29' ' ' ILE . 81.5 mt -72.86 -56.07 5.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.676 0.274 . . . . 0.0 110.545 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -158.54 152.21 23.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.503 HG21 ' HG2' ' A' ' 28' ' ' GLU . 19.9 m -89.93 128.21 36.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.55 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -87.23 -54.98 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.802 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -168.14 171.04 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.105 0.478 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -127.32 129.57 47.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.382 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -104.08 125.14 50.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.773 0.32 . . . . 0.0 111.216 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 58.45 29.96 19.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.556 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' NZ ' ' HB3' ' A' ' 23' ' ' LYS . 7.5 mtpm? 57.25 87.7 0.06 Allowed 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.455 0.472 . . . . 0.0 111.354 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.36 -57.38 0.6 Allowed Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.424 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -73.49 97.66 2.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -96.0 137.73 34.64 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 -173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HZ1' ' CD ' ' B' ' 63' ' ' GLU . 37.9 ttpt -118.06 115.57 25.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.503 ' HG2' HG21 ' A' ' 17' ' ' THR . 39.4 mt-10 -137.47 169.83 17.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -175.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.507 HG21 HD13 ' A' ' 15' ' ' LEU . 57.9 mt -116.59 115.56 49.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -130.16 -178.49 4.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.899 0.381 . . . . 0.0 111.224 -173.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 31' ' ' ARG . 19.5 mtp180 -118.64 124.9 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.749 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.516 HG23 HG12 ' A' ' 11' ' ' ILE . 48.2 t -116.77 131.0 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.504 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.52 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 28.4 m -93.79 112.88 24.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.829 0.347 . . . . 0.0 110.44 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 36' ' ' GLY . 90.9 m-85 -100.51 132.1 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 72.97 -40.62 0.48 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.544 0.738 . . . . 0.0 112.181 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . 147.14 0.03 0.66 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.985 -174.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 159.57 72.35 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -71.61 54.52 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.166 2.577 . . . . 0.0 112.847 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.506 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . 67.74 158.14 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.892 0.853 . . . . 0.0 112.972 176.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -127.53 170.14 12.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -99.07 119.88 38.54 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.088 0.471 . . . . 0.0 110.806 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.9 122.03 41.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.499 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.528 HG21 HD11 ' B' ' 57' ' ' ILE . 56.6 mt -100.68 107.94 22.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm105 -136.42 139.75 42.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.259 0.552 . . . . 0.0 112.444 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -112.23 109.2 18.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.938 172.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -108.59 146.28 33.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.364 0.602 . . . . 0.0 111.67 -172.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.617 -178.745 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 pttm . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.893 0.377 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -176.95 -175.34 44.17 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.833 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.7 tt -143.45 142.95 24.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -98.67 143.24 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.914 0.388 . . . . 0.0 111.362 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' HE3' ' B' ' 27' ' ' LYS . 57.6 mt -122.11 134.28 54.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.576 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 22.6 t -71.76 157.81 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.93 -49.02 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.585 0.231 . . . . 0.0 111.394 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.89 -41.55 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.909 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.576 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 41.8 mt-10 -62.58 -44.42 96.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.118 0.485 . . . . 0.0 110.069 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.512 ' O ' HG21 ' A' ' 68' ' ' VAL . 25.4 t80 -58.81 -50.09 75.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.918 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -59.28 -40.93 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -54.18 -51.1 65.42 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.679 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 21.9 ptt? -67.96 -37.33 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.333 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 64' ' ' PHE . 40.3 t -59.14 -52.16 63.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.51 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -71.1 -34.41 71.09 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.885 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.44 ' HB2' HD22 ' B' ' 16' ' ' LEU . . . -65.72 -50.86 63.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.974 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.496 ' HB3' HG12 ' B' ' 68' ' ' VAL . 46.2 m-85 -74.9 -17.37 60.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.693 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 66.2 tttm -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.47 -58.2 3.39 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.041 -0.982 . . . . 0.0 112.864 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -92.72 -178.68 4.93 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.694 -0.298 . . . . 0.0 110.723 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.67 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 15.5 tp 60.6 178.59 0.1 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.639 0.776 . . . . 0.0 111.282 177.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.67 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 3.4 tm-20 . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 123.099 0.56 . . . . 0.0 111.216 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.139 0.495 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -136.89 119.8 16.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.857 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.82 141.31 42.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.253 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.444 HG13 HG22 ' B' ' 32' ' ' VAL . 3.4 mp -87.68 115.27 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.1 -23.84 15.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.546 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.02 133.72 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -94.98 142.51 27.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.436 HD13 HG21 ' B' ' 29' ' ' ILE . 92.7 mt -112.69 -69.09 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.447 HD12 HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -134.62 128.66 33.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.993 -170.024 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -98.32 105.13 17.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.447 HD21 HD12 ' B' ' 16' ' ' LEU . 67.9 mt -72.84 -74.4 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.52 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -163.57 160.18 22.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 110.735 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 64.6 tt0 -99.2 111.48 23.86 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -80.4 126.07 30.72 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 58.64 -160.23 0.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -105.52 91.46 3.78 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.725 -0.609 . . . . 0.0 110.008 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.17 -38.42 1.47 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.145 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -94.93 87.07 4.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.272 0.536 . . . . 0.0 111.808 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 19.5 m -87.58 138.4 31.51 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.455 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.466 ' HE3' HD22 ' A' ' 59' ' ' LEU . 7.1 ttpm? -118.76 124.52 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.32 171.28 17.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.122 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.545 HG12 HG12 ' B' ' 43' ' ' ILE . 54.5 mt -121.22 133.87 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.174 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.404 ' C ' HD21 ' B' ' 30' ' ' ASN . 0.3 OUTLIER -149.9 164.01 36.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -178.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -91.85 120.68 32.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 0.0 110.667 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.444 HG22 HG13 ' B' ' 11' ' ' ILE . 79.3 t -103.02 121.36 54.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 1.8 m -87.2 113.81 23.26 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.297 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -91.45 154.98 18.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.959 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -34.12 113.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.284 0.99 . . . . 0.0 112.55 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.28 -81.53 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.24 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.601 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -174.0 -51.8 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.4 Cg_endo -52.29 112.17 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.948 2.432 . . . . 0.0 113.335 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -101.71 106.97 18.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.652 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.14 163.9 13.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.57 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 16.5 m-85 -83.19 114.14 21.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' HG2' ' B' ' 44' ' ' ARG . 15.0 t70 -126.48 142.37 51.56 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.945 0.402 . . . . 0.0 111.236 -171.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.545 HG12 HG12 ' B' ' 29' ' ' ILE . 52.8 mt -112.64 122.17 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.403 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.588 ' HD3' ' HA3' ' B' ' 56' ' ' GLY . 16.6 mmt180 -133.6 162.05 32.98 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.304 0.573 . . . . 0.0 111.357 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.49 137.93 45.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.794 169.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.911 -172.655 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.815 0.341 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.588 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -134.63 169.11 23.29 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.528 HD11 HG21 ' A' ' 43' ' ' ILE . 20.8 tt -146.51 138.5 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 117.121 0.46 . . . . 0.0 110.88 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.3 m -101.7 135.74 42.73 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.555 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.49 124.9 46.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.722 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -76.13 179.39 5.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.57 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 47.2 t-20 -53.85 -54.3 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 111.129 -174.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.42 -36.39 73.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.224 -176.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.536 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 43.3 mt-10 -65.21 -45.8 83.3 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.247 0.546 . . . . 0.0 110.332 -178.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.44 ' O ' ' HG3' ' B' ' 67' ' ' MET . 54.5 t80 -64.58 -47.1 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -59.16 -36.64 75.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.8 m -58.53 -51.09 71.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.273 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -68.88 -36.05 77.62 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.736 -176.599 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.496 HG12 ' HB3' ' A' ' 71' ' ' PHE . 54.3 t -62.15 -41.04 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.243 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.02 -45.13 71.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.868 0.366 . . . . 0.0 110.582 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.23 81.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.374 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.459 ' HB3' HG22 ' A' ' 68' ' ' VAL . 23.0 m-85 -84.74 -23.64 29.19 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.102 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.693 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 25.6 ttmt -62.17 -32.9 73.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.45 45.56 1.29 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.185 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -167.06 149.16 6.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.73 0.265 . . . . 0.0 111.087 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.486 HD23 HG23 ' A' ' 68' ' ' VAL . 40.4 tp 75.5 -40.27 0.41 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.281 0.563 . . . . 0.0 111.583 -173.588 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.403 HG21 ' HA ' ' A' ' 35' ' ' ASN . 3.2 t . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.045 0.45 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -140.66 130.17 24.03 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.58 148.68 47.65 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.121 0.486 . . . . 0.0 111.149 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.0 mt -93.27 122.96 45.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.78 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -88.38 -42.88 11.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.867 0.365 . . . . 0.0 110.507 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.83 152.73 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.002 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.84 141.12 44.64 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -79.73 -61.96 1.83 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.047 0.451 . . . . 0.0 110.576 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.589 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 1.2 pt? -159.58 154.61 24.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.644 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 21.9 m -98.94 138.86 35.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.65 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 77.8 mt -98.09 -69.42 0.76 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -172.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -155.33 175.05 14.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.789 0.328 . . . . 0.0 111.226 -174.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 13.1 pt-20 -134.17 145.94 49.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.68 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.642 ' HB3' ' HB2' ' A' ' 25' ' ' TRP . 67.3 t30 -115.39 143.23 45.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.751 177.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 45.24 26.58 0.27 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.21 1.004 . . . . 0.0 112.765 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 56.94 22.78 7.52 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.826 0.45 . . . . 0.0 111.838 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.63 -32.15 0.26 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.671 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.642 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 11.3 m0 -91.06 97.0 10.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -87.8 136.69 32.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.701 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HD3' HD11 ' B' ' 57' ' ' ILE . 14.9 ttpp -130.92 127.85 39.32 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.101 -0.375 . . . . 0.0 110.582 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.644 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 17.1 pt-20 -160.55 -174.23 4.36 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.27 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.521 HG12 HG23 ' A' ' 43' ' ' ILE . 42.1 mt -123.29 125.97 72.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.269 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -142.14 169.01 18.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.966 0.412 . . . . 0.0 110.942 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.514 ' HD3' ' HB3' ' A' ' 39' ' ' ALA . 67.2 mtt-85 -89.53 131.48 35.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.28 129.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.585 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 66.7 m -109.62 119.01 38.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.86 120.08 39.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.696 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.403 ' HA ' HG21 ' A' ' 8' ' ' THR . 9.8 m120 51.86 31.07 7.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.289 0.566 . . . . 0.0 112.196 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.585 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . 167.49 -159.78 33.2 Favored Glycine 0 CA--C 1.503 -0.716 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.543 ' HA ' ' HB3' ' A' ' 33' ' ' SER . . . -133.98 69.43 74.91 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 117.929 0.865 . . . . 0.0 111.995 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 1.2 Cg_endo -85.18 -22.12 2.82 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.749 2.299 . . . . 0.0 110.589 168.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.514 ' HB3' ' HD3' ' A' ' 31' ' ' ARG . . . 47.84 63.96 1.82 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 114.581 -1.19 . . . . 0.0 112.234 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -82.28 160.26 22.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -89.21 120.16 30.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -114.67 131.46 56.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.923 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.521 HG23 HG12 ' A' ' 29' ' ' ILE . 39.5 mt -115.3 112.94 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.51 ' HA ' HD13 ' B' ' 57' ' ' ILE . 16.9 ptp180 -155.8 171.61 19.75 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.251 -177.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.64 143.66 33.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.03 174.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -108.48 125.68 52.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.333 -176.316 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.235 0.294 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.405 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -178.33 -179.89 48.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.116 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.1 tt -157.03 135.14 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.01 0.433 . . . . 0.0 110.552 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -88.98 132.62 34.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.065 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.436 ' CD2' ' HD3' ' B' ' 27' ' ' LYS . 60.0 mt -114.01 146.03 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.8 p -86.93 171.83 10.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -59.17 -40.43 85.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.497 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 62' ' ' GLU . 1.5 mp0 -58.94 -55.62 32.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.502 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.455 ' CD ' ' HZ3' ' B' ' 27' ' ' LYS . 47.2 mt-10 -63.72 -45.21 90.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.038 -175.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' O ' ' HG2' ' A' ' 67' ' ' MET . 13.7 t80 -63.43 -47.66 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.819 -175.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -62.19 -39.02 91.32 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.8 m -54.91 -51.08 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.346 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.5 ptt? -64.52 -30.75 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.39 -177.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 64' ' ' PHE . 77.6 t -59.63 -51.73 69.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.614 0.245 . . . . 0.0 111.376 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -41.54 86.55 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.185 0.517 . . . . 0.0 110.92 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.64 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -65.22 -49.24 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.57 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 19.4 m-30 -64.45 -25.79 68.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.613 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.544 ' HD2' ' OE1' ' B' ' 76' ' ' GLU . 85.5 tttt -59.75 -46.57 88.73 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.49 28.14 6.55 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.154 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.457 ' HB2' ' HA ' ' A' ' 71' ' ' PHE . 3.6 m-80 -137.19 -51.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.602 0.239 . . . . 0.0 111.592 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.564 ' HG ' ' NE2' ' B' ' 65' ' ' GLN . 49.1 tp -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -167.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.196 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.444 -0.732 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.465 ' HB2' HG12 ' B' ' 32' ' ' VAL . 26.2 p90 -108.03 119.37 39.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.758 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.502 ' HB2' ' OG ' ' B' ' 33' ' ' SER . 14.0 mm-40 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -176.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.46 HD11 ' N ' ' B' ' 11' ' ' ILE . 3.6 mp -80.55 108.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.532 ' HG3' ' HB3' ' B' ' 39' ' ' ALA . 22.8 mm-40 -85.66 -46.22 10.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.528 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -162.82 152.54 15.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.186 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 14.3 p80 -107.53 131.65 54.1 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.715 171.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.894 HD22 HG22 ' B' ' 29' ' ' ILE . 2.9 mm? -60.73 -62.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.64 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -172.53 153.59 2.9 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 175.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.825 HG23 ' HG2' ' B' ' 28' ' ' GLU . 35.3 m -83.31 122.14 28.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.469 HD11 HD12 ' B' ' 29' ' ' ILE . 66.5 mt -71.76 -71.46 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.501 0.191 . . . . 0.0 111.008 -176.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -163.06 162.6 25.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.26 123.73 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.236 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -95.2 152.96 17.9 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.1 mp0 -53.08 156.39 2.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.481 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' B' ' 22' ' ' GLU . 68.5 mttm 77.37 6.9 2.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.359 -173.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.64 75.22 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.173 174.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.423 ' CZ2' ' HB3' ' B' ' 47' ' ' SER . 33.3 m95 -80.21 102.96 9.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.283 0.563 . . . . 0.0 110.223 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -88.91 137.7 32.08 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.292 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.455 ' HZ3' ' CD ' ' A' ' 63' ' ' GLU . 39.2 ttmt -113.36 116.03 29.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.825 ' HG2' HG23 ' B' ' 17' ' ' THR . 46.4 mt-10 -131.63 170.13 15.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.877 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.894 HG22 HD22 ' B' ' 15' ' ' LEU . 41.4 mt -131.02 129.3 63.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.242 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.3 OUTLIER -149.08 169.28 21.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 82.4 mtp180 -108.28 121.56 45.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.967 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' B' ' 9' ' ' PHE . 39.5 t -121.99 135.02 63.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 -177.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.502 ' OG ' ' HB2' ' B' ' 10' ' ' GLU . 7.0 p -93.85 135.09 35.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -111.04 101.98 10.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.965 -176.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 p30 41.75 52.11 4.05 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.301 1.001 . . . . 0.0 111.189 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.99 -164.96 13.17 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.386 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.81 165.0 0.12 Allowed Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 122.805 0.442 . . . . 0.0 111.59 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.532 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 29.6 Cg_endo -64.31 158.29 49.63 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.109 1.872 . . . . 0.0 111.748 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.532 ' HB3' ' HG3' ' B' ' 12' ' ' GLU . . . -69.19 110.62 4.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.041 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.7 mttt -81.1 152.54 27.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.467 ' HZ ' HD11 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -95.73 128.91 43.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.137 -175.639 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -133.57 149.0 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.202 0.525 . . . . 0.0 111.086 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.589 HG22 HG12 ' B' ' 29' ' ' ILE . 19.9 mt -110.9 109.83 29.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 ptm85 -123.88 161.83 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -166.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' B' ' 55' ' ' LYS . . . -136.76 106.77 6.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.394 175.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . 0.438 ' HE3' ' O ' ' B' ' 47' ' ' SER . 56.6 p-90 -108.24 144.09 36.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.386 0.613 . . . . 0.0 111.949 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.438 ' O ' ' HE3' ' B' ' 46' ' ' TRP . 7.3 p . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.211 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.408 ' HB2' ' HB3' ' B' ' 45' ' ' ALA . 34.4 mmtp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.12 163.78 12.41 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.973 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 44' ' ' ARG . 10.9 tt -133.38 134.15 57.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -100.68 132.04 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.846 0.355 . . . . 0.0 110.65 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.443 ' HB2' ' CD2' ' B' ' 41' ' ' PHE . 4.7 mp -126.5 168.11 14.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.907 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -94.76 172.57 8.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.985 0.421 . . . . 0.0 110.575 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -73.46 -33.9 65.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.876 -173.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.48 -58.7 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.467 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.65 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 12.5 pt-20 -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.421 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.612 ' O ' HG22 ' B' ' 68' ' ' VAL . 2.1 t80 -56.36 -52.01 66.17 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . 0.566 ' HA ' HE21 ' B' ' 65' ' ' GLN . 0.0 OUTLIER -65.69 -37.21 85.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 178.064 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' B' ' 63' ' ' GLU . 79.4 m -52.97 -50.03 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.266 176.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.473 ' HE1' ' CD1' ' B' ' 64' ' ' PHE . 13.6 ptt? -74.47 -38.44 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.174 -176.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.612 HG22 ' O ' ' B' ' 64' ' ' PHE . 84.3 t -53.68 -48.5 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.558 0.218 . . . . 0.0 110.418 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.95 -43.95 91.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.153 0.502 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.35 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -89.8 -0.84 57.8 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.968 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 1.3 mmpm? -75.29 -30.09 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 165.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.57 -51.36 3.69 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.38 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' B' ' 75' ' ' LEU . 64.3 t30 -97.88 144.41 27.48 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.446 ' HB3' ' H ' ' B' ' 76' ' ' GLU . 5.1 mp 67.56 -161.46 0.22 Allowed 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.017 0.527 . . . . 0.0 110.128 -172.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' A' ' 72' ' ' LYS . 31.4 tt0 . . . . . 0 N--CA 1.469 0.499 0 O-C-N 123.897 0.748 . . . . 0.0 110.286 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.446 -0.632 0 CA-C-O 120.82 0.343 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -105.05 119.93 40.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' CG ' ' HB3' ' A' ' 33' ' ' SER . 8.6 pt-20 -108.0 119.99 41.04 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.295 0.569 . . . . 0.0 111.443 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.51 ' HA ' HG21 ' A' ' 32' ' ' VAL . 4.2 mp -85.65 91.4 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -90.19 -30.66 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.666 -173.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.456 ' CD ' HH21 ' A' ' 31' ' ' ARG . 36.2 tt0 -142.9 128.19 18.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.966 0.412 . . . . 0.0 111.296 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -92.76 101.63 14.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.03 -54.85 35.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 112.075 -173.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' B' ' 67' ' ' MET . 0.8 OUTLIER -149.5 114.71 5.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -172.08 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m -88.83 102.52 15.11 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' B' ' 63' ' ' GLU . 92.0 mt -74.1 -74.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -157.68 151.66 24.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.228 0.537 . . . . 0.0 111.649 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.06 115.94 26.98 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.111 170.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.57 165.02 12.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.492 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 65.13 -71.34 0.08 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.922 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . 36.6 ttmt -168.98 -61.28 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.12 17.28 7.11 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.905 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.455 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 65.9 m95 -97.86 101.62 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.857 0.361 . . . . 0.0 110.465 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.8 m -86.57 137.71 32.29 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.053 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -114.42 115.84 27.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.574 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -148.67 154.38 39.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.1 -171.778 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.574 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 62.1 mt -100.03 123.39 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.951 176.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -123.46 166.8 14.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.23 0.538 . . . . 0.0 111.435 -174.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.456 HH21 ' CD ' ' A' ' 13' ' ' GLU . 53.6 ttp85 -122.82 107.16 11.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.093 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 11' ' ' ILE . 69.9 t -122.65 136.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.821 -170.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.448 ' HB3' ' CG ' ' A' ' 10' ' ' GLU . 48.4 t -88.0 118.45 27.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.03 82.34 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.5 t30 53.31 26.07 4.98 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.268 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.92 174.49 25.81 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.033 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 71.05 153.12 0.14 Allowed Pre-proline 0 N--CA 1.467 0.393 0 C-N-CA 123.229 0.611 . . . . 0.0 111.12 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.16 40.11 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.104 2.536 . . . . 0.0 113.316 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' HB3' ' HG2' ' A' ' 31' ' ' ARG . . . 67.81 114.43 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.47 0.708 . . . . 0.0 111.52 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -95.12 178.7 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.468 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -99.03 129.55 45.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.541 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 33.7 t70 -135.14 130.31 35.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.992 0.425 . . . . 0.0 110.404 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.569 HG22 HD12 ' B' ' 57' ' ' ILE . 54.7 mt -107.95 104.6 17.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 10.2 ttp180 -136.49 169.74 17.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.463 0.649 . . . . 0.0 111.977 -170.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.88 146.56 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.055 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.455 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 84.7 m95 -115.81 133.67 55.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.324 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.483 178.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.108 0.48 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 173.12 156.77 13.41 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.577 -176.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.544 ' HA ' ' HB3' ' B' ' 55' ' ' LYS . 10.9 tt -156.14 139.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 111.64 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.5 133.74 35.63 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.302 0.573 . . . . 0.0 111.225 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.8 mt -119.28 143.38 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.024 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 t -93.6 -173.25 3.13 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.24 -35.64 81.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.854 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.87 -57.97 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.251 -176.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.581 ' HG3' ' HB3' ' B' ' 19' ' ' SER . 1.8 mp0 -56.43 -44.32 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 0.0 111.057 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 68' ' ' VAL . 2.5 t80 -61.84 -53.4 56.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.729 -175.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.667 ' HG2' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.38 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.394 -179.505 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -61.22 -49.45 77.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 24.7 ptt? -61.95 -41.31 97.84 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.61 0.243 . . . . 0.0 110.463 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.681 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 89.7 t -54.5 -53.07 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.9 -48.67 77.96 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.049 0.452 . . . . 0.0 111.31 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.497 ' CB ' HD13 ' B' ' 16' ' ' LEU . . . -62.97 -36.25 82.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.898 -176.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 17.9 m-85 -72.8 -24.7 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.357 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.681 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 26.0 mmtp -66.92 -32.28 73.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.515 0.674 . . . . 0.0 109.433 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.02 26.2 25.37 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.636 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.09 -67.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.431 HD21 HG23 ' B' ' 68' ' ' VAL . 12.2 tp -88.53 -16.93 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.936 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 9.9 tp10 . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 110.394 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -117.73 139.43 51.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.98 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.05 116.95 26.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.765 0.317 . . . . 0.0 110.632 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.521 HG12 HG23 ' B' ' 32' ' ' VAL . 37.7 mt -83.34 93.03 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.92 -27.14 25.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.59 143.95 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 111.024 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -117.66 114.55 23.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.497 HD12 HG21 ' B' ' 29' ' ' ILE . 29.7 mt -68.38 -58.25 4.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.993 -175.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.497 HD13 ' CB ' ' A' ' 70' ' ' ALA . 1.1 pt? -167.88 140.67 3.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.115 0.483 . . . . 0.0 110.801 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.615 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 21.5 m -80.04 123.54 27.93 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 169.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.555 HD13 HG13 ' B' ' 29' ' ' ILE . 78.9 mt -78.06 -71.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.873 0.368 . . . . 0.0 111.417 -171.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.581 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 35.0 t -158.27 159.16 35.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.185 -176.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -112.48 111.44 22.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -90.64 177.13 6.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.979 -174.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.0 mp0 -50.78 146.92 5.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.81 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.563 ' HB2' ' HD1' ' B' ' 25' ' ' TRP . 34.7 mmtp 76.38 -5.94 2.09 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.206 0.942 . . . . 0.0 111.371 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.07 24.89 15.61 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.804 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.563 ' HD1' ' HB2' ' B' ' 23' ' ' LYS . 55.3 m95 -83.16 106.08 14.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' B' ' 46' ' ' TRP . 8.8 m -87.04 139.18 30.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.507 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -113.24 123.19 49.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.615 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 39.2 tt0 -142.98 147.56 35.37 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.389 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.555 HG13 HD13 ' B' ' 18' ' ' LEU . 55.4 mt -114.74 114.35 46.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.432 174.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -134.36 175.87 9.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.287 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -116.22 121.14 41.18 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.521 HG23 HG12 ' B' ' 11' ' ' ILE . 16.0 t -124.26 134.52 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.546 -171.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.5 t -100.04 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.9 110.79 22.15 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.152 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 69.58 -57.84 0.53 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.795 0.685 . . . . 0.0 110.853 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.73 -158.99 15.63 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.491 ' HB2' ' HD2' ' B' ' 38' ' ' PRO . . . 70.73 165.99 0.13 Allowed Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.595 0.358 . . . . 0.0 111.228 177.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' B' ' 37' ' ' ALA . 70.9 Cg_exo -49.15 125.22 12.97 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.733 2.289 . . . . 0.0 112.553 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.51 126.02 25.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.54 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -102.39 169.49 8.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.548 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 43.1 m-85 -90.02 122.67 33.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.284 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.52 119.35 34.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.496 ' O ' ' HA2' ' B' ' 56' ' ' GLY . 53.6 mt -104.15 105.19 18.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -135.24 172.71 12.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 0.0 111.803 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.8 147.29 38.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.132 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' TRP . . . . . 0.484 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 91.6 m95 -107.73 134.19 51.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 -179.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 -177.791 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.544 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 99.1 mttt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' B' ' 43' ' ' ILE . . . 178.62 149.7 8.32 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.023 -177.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.569 HD12 HG22 ' A' ' 43' ' ' ILE . 14.9 tt -145.02 140.58 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.1 p -96.32 126.81 41.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.176 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.8 mt -115.38 145.53 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.517 ' HB2' ' OE2' ' B' ' 63' ' ' GLU . 1.4 m -94.48 177.27 5.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.265 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.548 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 15.3 m120 -53.51 -44.31 69.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.398 -176.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.22 -50.05 20.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.517 ' OE2' ' HB2' ' B' ' 60' ' ' SER . 1.7 mp0 -59.8 -35.75 75.32 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.981 0.42 . . . . 0.0 110.406 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . 0.542 ' O ' ' HG2' ' B' ' 67' ' ' MET . 2.4 t80 -67.37 -48.15 68.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.733 -176.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.3 m -53.35 -44.99 68.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.441 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 14.8 ptt? -70.35 -31.63 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.966 -176.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.509 HG21 ' O ' ' B' ' 64' ' ' PHE . 94.8 t -57.88 -51.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.475 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' B' ' 72' ' ' LYS . 1.1 m-20 -62.45 -52.11 64.82 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.191 0.52 . . . . 0.0 111.577 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.527 ' HB3' HD12 ' A' ' 16' ' ' LEU . . . -62.44 -36.59 82.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.495 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -79.84 -4.59 52.84 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.437 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.624 ' HE2' ' HD2' ' A' ' 72' ' ' LYS . 15.1 ttmm -77.91 -28.16 49.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 164.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.56 -57.44 16.45 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.797 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -82.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.667 HD23 ' HG2' ' A' ' 65' ' ' GLN . 5.9 mp -76.07 158.72 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.181 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' B' ' 75' ' ' LEU . 20.9 tt0 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.095 0.474 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -91.68 141.67 28.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -78.83 92.94 4.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.805 0.812 . . . . 0.0 110.325 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.9 tpt -81.34 68.44 7.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.663 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.05 12.21 3.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.013 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -125.88 94.41 4.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.403 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -82.01 103.74 11.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.282 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 p -71.99 118.33 14.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.149 0.5 . . . . 0.0 110.669 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -106.29 126.5 52.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.562 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -142.57 133.44 25.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.546 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.0 mt -90.14 99.78 10.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.054 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.87 -20.59 30.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.998 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -139.94 115.43 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.204 0.526 . . . . 0.0 111.352 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -95.08 109.36 21.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.086 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 29' ' ' ILE . 96.9 mt -66.55 -69.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.662 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 67' ' ' MET . 1.5 pt? -165.35 152.06 10.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.638 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 37.9 m -88.06 128.03 35.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.464 171.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -76.44 -64.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -156.27 160.09 39.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.093 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -111.99 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -87.86 144.11 26.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.507 -169.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.542 ' HG3' ' HG2' ' A' ' 23' ' ' LYS . 9.7 tp10 61.54 -91.53 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.073 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HG2' ' HG3' ' A' ' 22' ' ' GLU . 14.0 pttm -176.36 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.367 0.667 . . . . 0.0 109.632 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.68 -12.98 6.19 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.877 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.402 ' HZ2' ' HD2' ' A' ' 52' ' ' LYS . 45.0 m95 -93.25 83.1 4.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.848 0.356 . . . . 0.0 110.342 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 m -85.84 136.68 33.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -130.01 117.55 20.22 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.638 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 17.9 pt-20 -148.9 174.81 11.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.28 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.518 HG22 HD11 ' A' ' 15' ' ' LEU . 40.9 mt -121.53 130.47 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.743 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.443 ' C ' HD21 ' A' ' 30' ' ' ASN . 0.3 OUTLIER -146.03 168.38 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.784 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 31.6 mtm180 -105.77 123.16 47.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.966 0.412 . . . . 0.0 110.566 175.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 49.4 t -101.28 126.78 55.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 1.8 m -89.68 108.33 19.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.948 178.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.506 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 96.6 m-85 -88.23 114.14 24.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 49.0 m-80 78.11 -38.21 0.24 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.047 0.842 . . . . 0.0 110.991 -175.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.52 -65.37 0.33 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.754 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.564 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -69.3 -52.85 14.41 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -72.31 87.62 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.397 2.065 . . . . 0.0 112.478 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -107.85 102.26 11.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.879 176.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -116.64 179.32 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.01 -177.064 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.451 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 38.3 m-85 -82.19 135.71 35.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.349 -169.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.477 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 21.5 t70 -137.47 126.56 24.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.078 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 52.6 mt -104.02 107.34 22.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.557 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 12.1 ttm-85 -133.73 144.53 49.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.184 0.516 . . . . 0.0 111.798 -169.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.0 134.02 47.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.557 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -107.49 143.86 35.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.617 ' HB2' ' HA ' ' A' ' 51' ' ' THR . 13.0 m -103.2 165.65 13.21 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 47' ' ' SER . 37.5 Cg_endo -67.68 -153.58 0.03 OUTLIER 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.341 2.027 . . . . 0.0 112.297 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' H ' ' HB2' ' A' ' 48' ' ' PRO . 2.6 m-20 -52.22 148.19 6.76 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.805 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 73.74 -43.4 0.54 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.695 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.617 ' HA ' ' HB2' ' A' ' 47' ' ' SER . 35.3 m 70.85 137.7 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.312 0.577 . . . . 0.0 111.405 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD2' ' HZ2' ' A' ' 25' ' ' TRP . 15.0 ptpt -135.94 -175.67 4.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.881 -176.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 23.6 mmt -67.63 114.65 6.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 0.0 111.763 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.35 36.72 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.094 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.77 -101.8 0.1 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.988 0.515 . . . . 0.0 111.386 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 44' ' ' ARG . . . 81.54 103.85 0.37 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.495 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' B' ' 55' ' ' LYS . 13.7 tt -120.79 128.93 76.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.325 0.583 . . . . 0.0 111.042 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.3 m -93.51 134.73 35.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.582 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.2 mt -117.83 144.94 44.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.6 p -83.55 164.08 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.802 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.451 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 8.2 t30 -56.45 -45.19 80.96 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.795 -176.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.77 -49.78 73.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.361 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.647 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.477 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 23.3 t80 -67.66 -44.81 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.42 -37.64 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.294 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.2 m -58.69 -53.18 61.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.491 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -64.6 -38.15 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG11 ' HB3' ' B' ' 75' ' ' LEU . 79.4 t -61.7 -42.68 95.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.121 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.64 -49.5 77.28 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.0 -45.16 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.673 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.469 ' HB3' HG12 ' B' ' 68' ' ' VAL . 18.5 m-85 -71.79 -24.86 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.314 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.956 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 83.6 tttt -69.56 -33.57 72.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.71 -4.97 87.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.913 -176.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' CG ' ' H ' ' A' ' 75' ' ' LEU . 4.4 t-20 -155.54 -161.27 1.14 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.657 0.728 . . . . 0.0 110.886 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.5 ' CD2' HG23 ' B' ' 68' ' ' VAL . 29.9 tp 71.14 -32.15 0.24 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.67 1.188 . . . . 0.0 113.036 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -72.5 8.7 1.3 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.87 127.89 33.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.956 0.408 . . . . 0.0 110.846 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -60.78 137.45 58.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -75.02 52.68 0.57 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.669 0.747 . . . . 0.0 111.231 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -172.24 66.72 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -99.74 -25.32 14.42 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.075 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 C--O 1.243 0.742 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.808 179.107 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.809 0.337 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -142.0 149.83 40.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.633 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -82.31 104.18 12.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.26 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.3 ttp 61.44 85.17 0.12 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.055 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.62 86.73 7.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.911 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -146.05 146.75 31.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.248 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -97.72 130.08 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.22 0.533 . . . . 0.0 111.318 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.2 p -114.59 121.59 43.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.116 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -110.36 138.67 46.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.735 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 149.16 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.614 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.2 106.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.253 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -60.1 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.836 -177.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -135.16 131.19 36.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.5 117.44 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' B' ' 29' ' ' ILE . 68.5 mt -94.32 -71.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.108 -177.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 69.0 mt -132.54 137.88 47.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.0 m -106.08 100.75 10.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 171.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.08 -67.74 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.149 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -172.06 155.76 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -106.5 120.52 42.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -114.96 172.31 7.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.387 -168.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 52.78 -111.01 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.853 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -135.38 89.13 2.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' B' ' 48' ' ' PRO . . . 81.17 7.46 88.44 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.853 177.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -85.11 97.98 10.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -87.44 136.69 32.84 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.997 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -129.56 120.8 25.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.962 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 4.1 pt-20 -147.97 -175.76 5.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.145 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 65.7 mt -130.97 118.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.467 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -147.63 179.07 7.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 46.5 mtm180 -107.28 121.11 43.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.515 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 42.7 t -106.18 132.46 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.4 p -97.21 133.96 41.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.479 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.54 98.23 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 62.13 90.86 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.271 0.558 . . . . 0.0 111.622 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . 0.512 ' C ' ' HD3' ' B' ' 38' ' ' PRO . . . 101.82 -140.13 14.73 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -176.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.616 ' N ' ' HD3' ' B' ' 38' ' ' PRO . . . -126.5 50.58 5.06 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.616 ' HD3' ' N ' ' B' ' 37' ' ' ALA . 20.0 Cg_endo -95.5 52.58 0.19 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.922 2.415 . . . . 0.0 110.706 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.523 ' HA ' ' O ' ' B' ' 32' ' ' VAL . . . -71.34 104.49 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.613 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 32.4 mmtp -101.42 171.56 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.443 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -83.5 116.43 22.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.236 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -116.14 115.96 26.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -176.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.66 103.62 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.55 ' CB ' ' HA3' ' B' ' 56' ' ' GLY . 21.9 ttm105 -147.08 148.69 31.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.429 0.633 . . . . 0.0 112.452 -169.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.19 132.88 35.81 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.898 -1.047 . . . . 0.0 108.79 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -107.24 132.98 52.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 120.984 0.421 . . . . 0.0 110.012 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.539 ' OG ' ' HA ' ' B' ' 53' ' ' MET . 10.1 m -62.41 149.76 87.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.509 -176.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.491 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 58.2 Cg_endo -71.16 -167.29 0.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.842 2.361 . . . . 0.0 111.848 174.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -76.73 -1.39 27.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.676 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -107.13 -82.87 0.54 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.695 -173.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.45 -163.48 1.79 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.45 -175.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 57.5 mttp 73.38 175.86 0.26 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.068 0.947 . . . . 0.0 111.326 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' MET . . . . . 0.539 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 0.0 OUTLIER -154.1 149.41 27.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.556 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.69 155.64 24.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.609 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.523 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 24.5 mmmt -93.1 28.86 2.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.8 0.44 . . . . 0.0 111.083 -175.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.55 ' HA3' ' CB ' ' B' ' 44' ' ' ARG . . . -56.49 147.15 32.63 Favored Glycine 0 CA--C 1.517 0.157 0 CA-C-N 115.999 -0.546 . . . . 0.0 114.255 -173.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 19.1 tt -123.07 140.3 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.07 0.462 . . . . 0.0 110.511 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -99.4 134.71 41.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.6 mt -123.88 141.59 51.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.527 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' B' ' 40' ' ' LYS . 11.3 t -83.48 166.71 18.09 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -57.44 -43.85 84.23 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.94 -49.51 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.655 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.95 -40.97 83.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.383 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.413 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 17.8 t80 -62.56 -48.54 79.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.532 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -59.86 -36.99 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.4 m -57.61 -52.64 64.58 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.342 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.514 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.0 ptt? -63.68 -37.62 88.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.933 0.397 . . . . 0.0 110.387 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.5 HG23 ' CD2' ' A' ' 75' ' ' LEU . 49.2 t -64.61 -45.09 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.568 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.89 -41.18 97.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.441 . . . . 0.0 110.68 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.51 -53.53 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.05 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.4 m-85 -67.93 -30.17 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.693 0.282 . . . . 0.0 110.721 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.956 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 21.4 ttmm -54.71 -42.79 71.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.818 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.25 -14.49 41.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.383 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -100.42 -71.36 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -174.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.54 ' HB3' HG11 ' A' ' 68' ' ' VAL . 29.5 tp -67.39 -42.72 82.85 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -169.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.62 92.97 7.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -119.15 15.5 13.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.915 -173.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -80.14 -27.54 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.128 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -173.76 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.571 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -81.59 90.32 6.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 0.0 110.68 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -149.31 104.73 3.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.772 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 66.6 m170 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.484 172.895 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.661 0.267 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -104.02 176.41 5.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.665 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -113.08 91.76 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.44 0.638 . . . . 0.0 110.441 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.6 ttm -138.62 -45.45 0.49 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.643 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.67 -170.03 2.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.375 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 66.74 100.41 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.713 0.768 . . . . 0.0 112.057 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -145.46 122.82 11.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.058 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.643 ' H ' ' HB2' ' A' ' 35' ' ' ASN . 29.9 p -87.57 141.77 28.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.182 178.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.91 118.62 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.205 0.526 . . . . 0.0 110.112 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 10.8 mm-40 -108.91 119.78 40.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.763 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.77 96.27 6.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.89 -35.91 8.84 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -127.33 122.83 34.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 0.0 112.484 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -93.99 111.74 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.347 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 29' ' ' ILE . 94.8 mt -71.34 -53.81 12.91 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.57 145.33 1.2 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.53 170.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.859 HG21 ' HG2' ' A' ' 28' ' ' GLU . 89.3 m -89.95 119.6 30.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.46 173.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.62 -73.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.811 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.457 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 74.4 m -164.35 159.43 19.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.323 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -90.14 103.7 16.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 167.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.403 ' ND2' ' HG2' ' A' ' 22' ' ' GLU . 2.7 t-20 -82.61 123.29 29.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.147 0.499 . . . . 0.0 111.747 -168.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HG2' ' ND2' ' A' ' 21' ' ' ASN . 31.7 mm-40 43.01 -88.06 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.288 1.435 . . . . 0.0 114.424 171.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -89.18 23.92 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -172.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.86 3.1 62.39 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.201 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -76.96 110.3 11.48 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -85.62 137.41 32.87 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.171 0.51 . . . . 0.0 111.022 -173.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -113.52 116.12 29.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.414 176.433 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.859 ' HG2' HG21 ' A' ' 17' ' ' THR . 31.8 mt-10 -132.66 146.99 52.32 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.667 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.506 HG21 HD11 ' A' ' 15' ' ' LEU . 58.4 mt -111.95 118.89 58.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -137.9 178.57 7.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.987 0.422 . . . . 0.0 110.763 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.26 158.61 22.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 21.4 t -145.61 124.55 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 123.171 0.294 . . . . 0.0 111.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.56 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 68.4 m -79.95 130.87 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.859 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 94.2 m-85 -114.67 155.71 26.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.602 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.643 ' HB2' ' H ' ' A' ' 8' ' ' THR . 7.5 t30 -57.73 105.23 0.24 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.155 173.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.31 63.11 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.859 ' HB1' ' HB2' ' A' ' 34' ' ' PHE . . . -146.98 138.65 13.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.661 0.231 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.59 166.18 22.84 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.404 2.069 . . . . 0.0 111.904 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -66.26 95.43 0.3 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 111.043 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -95.24 175.23 6.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.89 142.61 27.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.105 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -138.08 124.94 21.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.482 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.569 HG21 HD11 ' B' ' 57' ' ' ILE . 36.3 mm -91.07 107.11 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 174.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -110.8 122.12 47.05 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -163.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.64 111.96 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.063 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -123.79 147.25 47.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.142 0.496 . . . . 0.0 111.014 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.3 t -77.4 147.16 75.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.208 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -69.64 70.53 1.51 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.437 2.091 . . . . 0.0 112.25 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 55.66 76.77 0.26 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.863 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -149.84 160.39 43.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.295 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.0 m -76.29 74.39 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.444 0.64 . . . . 0.0 110.491 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -140.62 153.78 46.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -94.65 130.77 41.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.117 0.484 . . . . 0.0 110.807 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.8 134.08 14.58 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.379 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.502 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 32.1 mmtp -94.27 26.84 3.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 0.0 110.826 -176.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' O ' ' HD2' ' B' ' 55' ' ' LYS . . . -60.3 139.6 48.21 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.123 177.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 tt -126.21 135.2 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.07 0.462 . . . . 0.0 111.253 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.7 p -84.17 142.53 30.27 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.574 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.1 mt -124.54 138.55 54.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.112 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -84.72 172.58 11.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.56 -49.61 75.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.268 . . . . 0.0 110.759 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.94 -54.49 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.234 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 31.9 mt-10 -65.88 -45.35 82.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.125 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -67.2 -43.71 81.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.972 -175.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.11 -41.05 97.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.489 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.8 m -57.84 -45.75 85.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.493 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.514 ' HG3' ' HE2' ' A' ' 71' ' ' PHE . 58.6 ttp -55.93 -54.34 45.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.1 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.562 HG11 ' HB3' ' B' ' 75' ' ' LEU . 65.0 t -55.03 -58.99 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.813 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -70.84 -30.09 66.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.506 -171.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -56.75 16.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.514 ' HE2' ' HG3' ' A' ' 67' ' ' MET . 55.0 m-85 -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.077 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 86.7 tttt -54.09 -41.35 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 176.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.13 -28.14 11.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.174 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -86.97 -66.13 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.433 HD21 HG22 ' B' ' 68' ' ' VAL . 34.9 tp -68.63 -37.67 79.9 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.508 -172.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.53 ' HG2' ' HE2' ' B' ' 72' ' ' LYS . 7.5 tp10 -79.96 98.6 7.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.462 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -136.78 18.59 3.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.041 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.421 ' O ' ' HB3' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -147.86 -154.98 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.723 -174.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 80' ' ' HIS . 22.1 t-160 76.77 -65.69 0.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.512 0.507 . . . . 0.0 110.659 170.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 79' ' ' HIS . 15.8 t-80 168.87 -62.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t60 175.7 -48.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.074 -1.421 . . . . 0.0 107.183 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 C--O 1.241 0.63 0 CA-C-N 114.636 -1.166 . . . . 0.0 108.636 170.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.07 106.17 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.561 0.538 . . . . 0.0 111.609 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -127.05 100.36 6.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.951 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.9 mmt -101.14 179.29 4.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.704 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.33 38.02 10.52 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 110.689 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.32 -53.77 43.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.681 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -146.5 101.55 3.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.985 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.4 m -100.98 118.62 37.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.722 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.477 ' HA ' ' O ' ' B' ' 33' ' ' SER . 19.5 p90 -103.95 126.33 50.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -129.23 147.59 51.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.477 HG12 HG22 ' B' ' 32' ' ' VAL . 72.1 mt -90.27 110.63 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.447 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -80.0 -53.66 6.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.009 0.433 . . . . 0.0 110.841 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.24 128.64 53.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.486 -173.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -95.23 90.7 5.96 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.173 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.499 HD11 HG22 ' B' ' 29' ' ' ILE . 93.0 mt -55.53 -76.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.488 0.492 . . . . 0.0 112.147 -172.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.29 155.64 29.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.526 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.676 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 47.7 m -92.26 133.1 36.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.065 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.561 ' HG ' ' HA ' ' B' ' 28' ' ' GLU . 84.5 mt -85.62 -47.6 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.124 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.429 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 4.5 t -163.84 154.09 15.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.616 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -128.63 125.3 37.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.805 0.336 . . . . 0.0 110.55 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.01 150.1 36.37 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 64.61 -96.87 0.05 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.045 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' B' ' 23' ' ' LYS . 20.1 ptmt -166.34 22.7 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.46 -23.03 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.095 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -80.45 81.5 6.69 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 26.3 m -109.39 137.89 46.57 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.533 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -115.58 124.05 49.99 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.676 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 16.2 pt-20 -161.44 -174.77 4.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.885 0.374 . . . . 0.0 111.408 -174.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.521 HG12 HG12 ' B' ' 43' ' ' ILE . 42.1 mt -126.81 133.47 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.039 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.32 174.82 10.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.05 -176.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -111.87 131.77 55.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.477 HG22 HG12 ' B' ' 11' ' ' ILE . 59.4 t -127.0 133.5 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.429 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 69.6 m -106.4 135.64 47.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -102.46 97.39 7.63 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 69.94 -56.29 0.58 Allowed 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.912 0.757 . . . . 0.0 110.815 -172.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.04 -152.74 6.93 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.543 ' HB2' ' HD2' ' B' ' 38' ' ' PRO . . . 71.38 164.52 0.14 Allowed Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 124.098 0.528 . . . . 0.0 111.122 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.543 ' HD2' ' HB2' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -49.8 124.08 11.78 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.869 2.379 . . . . 0.0 112.561 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.13 121.97 16.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.883 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -86.54 170.93 11.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -94.27 146.3 24.12 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.635 ' OD2' ' HD2' ' B' ' 44' ' ' ARG . 27.1 t70 -139.44 121.88 16.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.824 -176.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.521 HG12 HG12 ' B' ' 29' ' ' ILE . 55.2 mt -103.76 113.53 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.635 ' HD2' ' OD2' ' B' ' 42' ' ' ASP . 9.5 ptm85 -142.36 161.42 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.448 0.642 . . . . 0.0 112.473 -171.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.77 113.95 24.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.33 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -107.85 168.67 9.11 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.559 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.584 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 8.3 m -152.4 172.03 6.0 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.671 -172.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.584 ' HD2' ' HB3' ' B' ' 47' ' ' SER . 18.1 Cg_endo -60.95 -27.14 84.34 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.22 1.947 . . . . 0.0 111.068 171.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -145.21 104.84 3.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.891 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -93.65 63.52 3.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.226 0.536 . . . . 0.0 110.781 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 51.9 p -129.39 -15.28 4.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.474 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -72.3 -57.42 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.23 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 25.6 ptm -166.04 178.71 6.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.716 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 103.26 137.79 9.61 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.07 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 96.3 mttt -122.01 179.85 4.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.976 0.417 . . . . 0.0 111.219 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.26 139.17 6.37 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.569 HD11 HG21 ' A' ' 43' ' ' ILE . 11.7 tt -127.71 127.83 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.368 0.604 . . . . 0.0 111.467 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.9 p -90.58 133.39 35.12 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.472 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.44 ' CD2' ' HG2' ' A' ' 27' ' ' LYS . 94.5 mt -119.45 137.78 53.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.214 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 14.4 m -79.39 167.85 20.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.202 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -59.33 -46.51 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.125 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -58.81 -45.48 89.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.457 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 36.3 mt-10 -63.28 -45.52 91.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.541 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.403 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 t80 -66.79 -40.53 88.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.026 -175.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.46 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.788 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 57.8 m -58.91 -44.96 91.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.55 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -55.16 -49.97 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.199 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.433 HG22 HD21 ' A' ' 75' ' ' LEU . 53.8 t -63.19 -44.43 99.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.595 -173.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.559 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 20.8 t70 -71.08 -40.39 71.59 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' B' ' 74' ' ' ASN . . . -61.35 -45.49 94.19 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.058 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.522 ' HA ' ' HB3' ' B' ' 74' ' ' ASN . 41.0 m-85 -80.89 -26.03 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.5 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.583 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 28.9 ttmt -48.5 -47.58 38.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.97 38.96 3.02 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.1 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.522 ' HB3' ' HA ' ' B' ' 71' ' ' PHE . 0.2 OUTLIER -137.93 -70.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.939 -177.627 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.562 ' HB3' HG11 ' A' ' 68' ' ' VAL . 27.1 tp -95.49 63.72 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.504 0.669 . . . . 0.0 111.235 -172.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.81 85.98 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -145.24 173.89 11.56 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.879 -171.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.2 t60 70.77 138.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 O-C-N 124.316 1.01 . . . . 0.0 110.453 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -55.62 128.23 33.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.485 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -60.36 118.49 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -68.35 112.33 5.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.287 -173.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 21.3 m80 . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.973 176.196 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.5 tttm 58.84 73.0 0.5 Allowed 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.57 0.544 . . . . 0.0 111.888 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.538 ' HG3' ' N ' ' A' ' 4' ' ' MET . 32.8 pttt -168.48 -49.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.057 176.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.538 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 22.6 ttt 54.19 22.99 3.89 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.367 0.603 . . . . 0.0 111.429 -175.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.98 140.53 52.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.329 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -118.96 -155.02 0.59 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.784 0.326 . . . . 0.0 110.28 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 91.7 m-85 -89.68 122.91 33.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.018 0.437 . . . . 0.0 110.922 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -103.12 138.96 39.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.591 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -112.95 129.13 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.025 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -128.12 130.87 48.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -86.05 114.16 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.845 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' ARG . 70.5 mm-40 -84.44 -78.15 0.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.202 -176.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -127.61 132.93 49.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.783 -171.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -81.38 91.71 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -52.03 -47.97 64.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.494 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 29' ' ' ILE . 48.0 mt -146.52 135.71 22.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.342 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -105.88 97.61 7.41 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.69 -80.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.886 -169.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.0 m -159.54 173.41 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.191 0.52 . . . . 0.0 111.672 -172.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.37 142.66 46.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.387 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 25' ' ' TRP . 0.9 OUTLIER -94.91 162.48 13.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.419 -179.083 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -34.18 40.77 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 124.308 1.005 . . . . 0.0 113.106 -171.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.09 3.36 15.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.598 0.237 . . . . 0.0 111.544 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.32 32.2 23.31 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.302 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.465 ' CZ2' ' HG2' ' A' ' 52' ' ' LYS . 27.4 m0 -98.84 141.45 31.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.302 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -105.86 138.38 42.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.84 0.353 . . . . 0.0 111.519 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HG3' ' HB1' ' A' ' 45' ' ' ALA . 15.7 ttmm -129.41 118.78 22.73 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.48 169.0 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.383 0.611 . . . . 0.0 110.806 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.528 HG12 HG21 ' A' ' 43' ' ' ILE . 70.5 mt -117.95 124.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.411 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -146.64 172.27 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.269 0.557 . . . . 0.0 112.395 -170.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.528 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 46.9 mtt180 -97.69 130.45 44.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.321 174.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -122.52 120.59 61.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -94.61 125.8 39.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -98.73 93.44 6.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.049 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.455 ' OD1' ' HA ' ' A' ' 7' ' ' PHE . 2.4 m-20 66.95 -64.81 0.23 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.095 0.872 . . . . 0.0 110.726 -174.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -126.07 3.2 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . 69.42 150.19 0.12 Allowed Pre-proline 0 N--CA 1.466 0.358 0 C-N-CA 123.004 0.521 . . . . 0.0 112.015 176.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 3.2 Cg_exo -77.87 38.63 0.69 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.313 2.675 . . . . 0.0 112.543 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.528 ' HB3' ' HB3' ' A' ' 31' ' ' ARG . . . 65.32 106.1 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.366 0.603 . . . . 0.0 111.589 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' A' ' 60' ' ' SER . 16.0 tptm -87.86 155.74 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.046 -175.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -88.01 126.43 35.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.464 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.62 128.96 27.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.626 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.528 HG21 HG12 ' A' ' 29' ' ' ILE . 62.0 mt -102.24 119.47 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -128.75 152.85 47.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.222 0.534 . . . . 0.0 112.183 -167.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.516 ' HB1' ' HG3' ' A' ' 27' ' ' LYS . . . -141.32 99.49 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 108.997 171.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -111.82 163.88 13.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.498 0.666 . . . . 0.0 111.707 -171.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -105.21 152.01 39.69 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.252 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.5 111.54 0.75 Allowed 'Trans proline' 0 C--O 1.24 0.598 0 C-N-CA 122.756 2.304 . . . . 0.0 111.969 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t70 64.44 -170.43 0.19 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.154 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -84.67 43.15 0.96 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.499 0.666 . . . . 0.0 110.578 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.8 m -77.52 -39.47 46.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.79 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' HG2' ' CZ2' ' A' ' 25' ' ' TRP . 15.0 tptp -140.86 155.59 46.3 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -77.32 120.09 21.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.783 0.325 . . . . 0.0 110.26 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.76 147.8 34.25 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.409 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -95.91 171.92 8.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.626 ' O ' ' HB3' ' B' ' 55' ' ' LYS . . . 150.93 166.09 13.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.651 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 tt -156.9 140.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.018 0.437 . . . . 0.0 110.774 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -94.46 141.58 28.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.904 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.457 ' HB2' ' HD1' ' A' ' 64' ' ' PHE . 5.3 mp -125.14 146.01 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.515 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 4.2 m -84.45 165.31 18.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.794 175.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -48.19 64.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 122.98 0.175 . . . . 0.0 111.252 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.58 -52.47 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.127 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 32.3 mt-10 -61.82 -44.4 96.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.203 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.537 ' O ' ' HG2' ' A' ' 67' ' ' MET . 5.9 t80 -65.69 -47.51 75.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.539 -177.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.89 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 m -55.8 -50.35 70.74 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.624 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 19.3 ptt? -64.12 -37.28 86.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.271 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.521 HG23 HD21 ' B' ' 75' ' ' LEU . 41.6 t -56.5 -56.36 14.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.211 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.686 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 33.7 t70 -69.03 -36.06 77.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.778 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -48.91 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.193 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 16.4 m-85 -68.51 -43.92 75.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.974 -176.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.686 ' HE3' ' HA ' ' A' ' 69' ' ' ASP . 23.5 pttp -73.23 -12.23 60.79 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.339 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.9 1.05 56.46 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.557 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -127.41 -52.81 1.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 111.262 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.522 HD21 HG23 ' B' ' 68' ' ' VAL . 47.5 tp -100.3 126.54 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 73.09 107.88 0.07 Allowed 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.989 0.805 . . . . 0.0 109.887 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -142.92 28.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.467 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -135.76 41.05 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.29 -11.66 60.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.812 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -91.25 93.12 8.94 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -93.05 -175.1 3.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.923 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.066 174.872 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -92.56 157.7 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.81 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -162.55 126.13 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.629 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -80.64 95.62 6.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.011 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 70.54 -80.49 0.04 OUTLIER 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.927 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -139.19 -166.29 2.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.654 0.264 . . . . 0.0 110.997 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.468 ' HA ' ' OD1' ' B' ' 35' ' ' ASN . 67.4 m-85 -50.3 144.65 7.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.048 -178.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -132.13 128.32 37.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.201 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' B' ' 33' ' ' SER . 43.3 p90 -123.28 145.28 48.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 178.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -146.36 128.88 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.499 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.522 HG12 HG23 ' B' ' 32' ' ' VAL . 57.2 mt -80.18 96.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.0 -36.54 19.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.561 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.53 ' HB3' ' HB2' ' B' ' 31' ' ' ARG . 33.5 tt0 -130.84 142.64 50.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -171.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.3 136.04 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.485 HD11 HG21 ' B' ' 29' ' ' ILE . 96.8 mt -90.54 -69.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.52 143.9 7.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.098 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.635 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 33.4 m -80.02 114.84 19.23 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.54 -69.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.251 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.425 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 69.2 m -163.42 155.17 17.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.946 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -82.75 145.66 29.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.453 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 1.0 OUTLIER -99.06 143.95 28.75 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 8.5 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -170.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -93.97 1.1 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.04 13.71 55.89 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.453 ' HB2' ' HB2' ' B' ' 21' ' ' ASN . 30.0 m0 -98.9 164.25 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -175.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -129.53 139.12 51.62 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.117 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -134.57 124.74 25.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.76 0.314 . . . . 0.0 110.42 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.635 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.0 pt-20 -151.28 -178.5 6.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.173 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.519 HG12 HG12 ' B' ' 43' ' ' ILE . 48.1 mt -125.3 131.07 72.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.874 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -134.71 174.39 10.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.348 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.53 ' HB2' ' HB3' ' B' ' 13' ' ' GLU . 18.1 mtp180 -112.93 129.58 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.226 174.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.522 HG23 HG12 ' B' ' 11' ' ' ILE . 41.3 t -122.02 124.98 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 17.8 m -82.2 142.66 31.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -120.72 106.22 11.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.615 0.245 . . . . 0.0 111.134 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.468 ' OD1' ' HA ' ' B' ' 7' ' ' PHE . 45.3 m-80 61.02 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.266 0.626 . . . . 0.0 111.211 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.0 19.0 5.26 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.33 150.14 36.93 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.55 148.8 33.48 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.18 2.587 . . . . 0.0 112.532 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -62.65 117.97 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.997 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 98.3 mttt -94.63 175.0 6.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.012 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.579 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 93.0 m-85 -91.34 137.94 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.697 0.284 . . . . 0.0 110.762 -175.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -143.36 125.46 15.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.687 0.279 . . . . 0.0 110.561 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.519 HG12 HG12 ' B' ' 29' ' ' ILE . 47.6 mt -98.13 123.03 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -139.37 146.95 40.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.262 0.553 . . . . 0.0 111.97 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.32 137.26 52.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.76 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -108.22 137.08 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.286 -174.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.611 ' HB2' ' O ' ' B' ' 52' ' ' LYS . 47.9 t -98.34 132.98 23.3 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.252 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.06 -25.36 4.1 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.715 2.277 . . . . 0.0 112.976 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -167.34 154.97 8.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.872 -0.149 . . . . 0.0 110.688 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 77.23 -10.99 1.26 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.649 0.78 . . . . 0.0 112.036 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m 65.45 81.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.501 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' B' ' 47' ' ' SER . 89.7 mttt -123.2 134.03 54.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.092 0.472 . . . . 0.0 110.325 174.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 88.1 mtp -96.98 111.5 23.69 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.641 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.39 45.98 3.44 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.278 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.626 ' HB3' ' O ' ' A' ' 56' ' ' GLY . 57.0 mttp 66.07 -174.04 0.18 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.985 0.514 . . . . 0.0 112.238 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.41 156.73 8.44 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.473 HD12 HG22 ' A' ' 43' ' ' ILE . 8.6 tt -158.06 133.68 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.162 0.506 . . . . 0.0 111.768 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.1 m -95.63 144.93 25.65 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.114 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.64 147.31 48.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -83.07 164.96 19.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.579 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 5.8 p30 -57.36 -48.46 78.95 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.58 -39.26 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.499 0.19 . . . . 0.0 111.127 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.21 -43.69 95.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.564 0.697 . . . . 0.0 109.565 176.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.488 ' O ' ' HG3' ' B' ' 67' ' ' MET . 9.3 t80 -63.56 -50.18 70.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.366 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -53.22 -39.35 63.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.045 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -60.83 -48.74 80.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.343 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -72.59 -30.68 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.157 -176.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.522 HG23 HD21 ' A' ' 75' ' ' LEU . 74.4 t -62.57 -44.57 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.625 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.23 -47.61 85.26 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.237 0.542 . . . . 0.0 110.642 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.458 ' HB2' HD11 ' A' ' 16' ' ' LEU . . . -60.18 -47.33 86.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.557 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.426 ' O ' HG11 ' A' ' 68' ' ' VAL . 22.9 m-85 -78.23 -9.19 59.1 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.156 0.503 . . . . 0.0 110.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.563 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 85.6 tttt -82.86 -21.6 34.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.62 -23.31 50.83 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.117 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -158.79 -167.45 2.13 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 117.342 0.571 . . . . 0.0 111.252 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 68' ' ' VAL . 0.4 OUTLIER 74.54 1.77 3.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.877 0.871 . . . . 0.0 111.902 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -84.8 66.59 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.251 1.024 . . . . 0.0 110.119 172.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -136.49 132.27 35.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.823 174.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -117.52 -88.68 0.6 Allowed 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.634 -0.827 . . . . 0.0 111.757 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 60.88 104.95 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.977 0.418 . . . . 0.0 110.742 -172.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -67.67 -22.25 65.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.637 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 32.8 m80 65.97 -87.64 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.232 0.613 . . . . 0.0 110.553 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.27 -0.872 . . . . 0.0 109.726 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 111.238 0.088 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 59.42 56.04 3.92 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.582 0.551 . . . . 0.0 110.739 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -74.45 80.2 1.92 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.25 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.711 ' HG3' ' H ' ' A' ' 6' ' ' GLU . 17.0 tpt -87.77 148.13 24.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.083 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.05 62.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 111.157 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.711 ' H ' ' HG3' ' A' ' 4' ' ' MET . 1.9 tm-20 -76.51 100.04 5.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.568 176.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -111.23 106.69 15.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.998 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -72.84 120.51 18.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.671 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -112.75 130.97 55.88 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' HB2' ' OG ' ' A' ' 33' ' ' SER . 72.6 mm-40 -122.84 122.22 38.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.3 mt -80.86 104.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.21 -65.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.498 0.666 . . . . 0.0 110.85 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -134.05 141.09 47.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.835 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -93.68 116.18 28.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 29' ' ' ILE . 96.5 mt -65.58 -57.64 7.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.84 135.38 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.866 173.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 m -78.54 104.0 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.835 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 83.6 mt -56.44 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.346 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -171.1 -178.13 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.864 0.364 . . . . 0.0 110.031 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.29 117.36 15.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -112.75 154.2 26.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.904 0.383 . . . . 0.0 111.72 -171.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 60.34 21.72 11.24 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.018 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.6 tttt 60.72 86.18 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.317 0.647 . . . . 0.0 111.022 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.44 -43.52 1.45 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.285 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -72.26 99.67 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.2 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 8.4 m -87.03 138.16 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.445 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HD3' HD22 ' B' ' 59' ' ' LEU . 38.5 ttmt -123.37 121.69 36.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -150.36 179.33 8.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.258 0.551 . . . . 0.0 111.929 -174.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.528 HG12 HG23 ' A' ' 43' ' ' ILE . 53.9 mt -130.6 120.41 48.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.471 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -143.7 -178.92 6.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.952 0.406 . . . . 0.0 111.289 -175.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -106.3 119.38 39.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.911 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.29 121.94 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.243 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 13.3 p -91.88 145.93 24.15 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -123.6 121.8 36.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.508 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 p30 47.33 30.75 1.6 Allowed 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.376 1.048 . . . . 0.0 112.983 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.36 -156.19 27.07 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.355 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.601 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -84.6 -52.56 0.52 Allowed Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 6.1 Cg_endo -47.43 115.94 1.6 Allowed 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.382 2.721 . . . . 0.0 113.111 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.581 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -104.03 164.77 11.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.224 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -124.14 150.94 44.53 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -78.22 114.88 17.52 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.474 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 25.7 t70 -118.69 123.86 45.94 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.096 0.474 . . . . 0.0 111.188 -175.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.544 HG21 HD12 ' B' ' 57' ' ' ILE . 52.4 mt -101.82 108.34 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 16.1 ttm-85 -142.77 145.89 33.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 0.0 112.517 -170.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -110.74 114.43 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.794 170.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -111.37 151.73 28.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.253 0.549 . . . . 0.0 112.27 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.1 t -78.11 142.59 64.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.694 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.67 -72.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.277 2.652 . . . . 0.0 114.029 -173.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -124.99 -35.3 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -85.89 124.65 32.61 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 p -69.51 102.67 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.513 0.673 . . . . 0.0 111.179 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -124.86 15.94 8.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.636 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.7 mmt 68.66 -168.02 0.18 Allowed 'General case' 0 N--CA 1.462 0.173 0 O-C-N 124.124 0.89 . . . . 0.0 110.594 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.33 -179.48 44.71 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' B' ' 57' ' ' ILE . 50.8 mtpt -104.47 128.68 52.43 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.513 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -164.38 144.31 9.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.849 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.23 145.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.383 . . . . 0.0 110.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.0 p -96.19 140.85 30.29 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.652 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.84 150.73 42.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.268 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.9 m -87.64 165.23 15.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -64.52 -35.93 82.57 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.08 -42.33 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.246 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 66' ' ' THR . 40.2 mt-10 -64.7 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.508 0.67 . . . . 0.0 110.125 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' HD2' HD23 ' B' ' 75' ' ' LEU . 4.4 t80 -62.36 -51.13 68.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.664 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.94 -31.64 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 75.9 m -55.14 -45.34 75.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.843 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.578 ' HE1' ' CE2' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -78.69 -29.63 45.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.513 -178.069 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 64' ' ' PHE . 96.4 t -56.06 -53.43 38.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.286 0.565 . . . . 0.0 110.41 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.573 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 19.2 t70 -71.58 -34.03 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.03 95.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.319 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.514 ' CE2' ' HE2' ' B' ' 67' ' ' MET . 19.8 m-85 -73.96 -24.03 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.995 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 69' ' ' ASP . 34.6 ttmt -58.76 -39.85 82.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.47 0.653 . . . . 0.0 109.734 171.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.23 45.12 1.51 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.741 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -161.49 -66.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.108 0.454 . . . . 0.0 111.596 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.405 HD22 ' HD2' ' B' ' 64' ' ' PHE . 4.8 mp -94.16 -22.95 18.13 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.147 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 49.2 tt0 -77.72 104.86 8.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.126 0.489 . . . . 0.0 110.714 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -107.61 67.83 0.7 Allowed 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 171.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -48.61 123.81 7.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.724 -1.126 . . . . 0.0 110.573 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -82.4 55.77 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.905 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.4 t60 70.45 -62.33 0.44 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.658 0.783 . . . . 0.0 112.603 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -59.84 112.79 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.0 t60 . . . . . 0 C--O 1.244 0.802 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.129 171.614 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -81.78 143.05 32.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.939 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -88.71 -97.01 0.09 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.857 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 66.4 mtt 60.52 -175.21 0.11 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.545 0.528 . . . . 0.0 111.253 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.21 -4.67 21.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.289 0.566 . . . . 0.0 110.858 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -88.99 83.85 6.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.805 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -74.81 119.33 18.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.811 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -72.71 139.86 47.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.922 0.392 . . . . 0.0 110.202 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -145.2 122.41 11.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.129 0.49 . . . . 0.0 109.915 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -133.12 148.76 52.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.309 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.92 124.05 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.082 0.468 . . . . 0.0 111.17 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.513 ' HG3' ' HB1' ' B' ' 39' ' ' ALA . 18.2 mm-40 -88.71 -42.92 11.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.691 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -162.0 121.79 2.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.977 -173.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.426 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.8 OUTLIER -94.09 137.3 33.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.011 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.468 HD12 HG23 ' B' ' 29' ' ' ILE . 67.0 mt -82.13 -58.15 3.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -174.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -152.36 149.42 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 177.355 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.638 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 91.7 m -92.31 121.34 33.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.583 173.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.67 -58.41 3.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -162.35 155.78 20.56 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.365 0.602 . . . . 0.0 112.098 -173.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -111.15 103.59 12.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 168.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.48 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 14.8 m120 -87.82 124.97 34.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.129 -172.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 55.02 34.07 21.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.19 171.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 pttm 39.98 83.01 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.866 0.866 . . . . 0.0 112.478 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.99 -46.7 0.48 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.506 ' CZ2' ' HD2' ' B' ' 52' ' ' LYS . 10.7 m95 -84.72 104.23 14.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.542 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.8 m -97.88 135.66 39.31 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.885 174.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.525 ' HG3' ' HB1' ' B' ' 45' ' ' ALA . 31.9 ttpt -134.6 123.77 24.34 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.638 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.3 pt-20 -156.78 -179.27 8.03 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.465 0.65 . . . . 0.0 111.766 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.525 HG12 HG23 ' B' ' 43' ' ' ILE . 80.9 mt -117.37 116.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.972 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 8.0 p30 -139.49 168.12 20.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.3 mtm105 -103.26 119.23 38.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.683 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.56 131.38 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.43 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -91.34 113.84 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -88.73 121.85 31.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.752 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p30 43.91 -98.34 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.765 0.826 . . . . 0.0 112.295 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.42 32.33 3.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.872 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.22 155.72 41.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.65 140.32 46.21 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.065 2.51 . . . . 0.0 112.545 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' B' ' 12' ' ' GLU . . . -65.93 106.5 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.2 mttt -86.93 165.67 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.26 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -82.74 115.38 21.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.358 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -114.01 117.52 31.56 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.177 0.513 . . . . 0.0 109.743 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.525 HG23 HG12 ' B' ' 29' ' ' ILE . 8.1 mm -90.19 103.36 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -151.37 148.06 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.821 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.525 ' HB1' ' HG3' ' B' ' 27' ' ' LYS . . . -107.92 140.23 41.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.116 172.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . 0.542 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 9.8 p-90 -107.37 126.68 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.648 0.737 . . . . 0.0 110.316 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.48 ' OG ' ' HD2' ' B' ' 48' ' ' PRO . 22.9 t -91.89 155.12 43.57 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 114.108 -1.405 . . . . 0.0 110.085 -173.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.48 ' HD2' ' OG ' ' B' ' 47' ' ' SER . 47.6 Cg_endo -69.08 47.62 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.184 2.589 . . . . 0.0 112.744 175.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.65 ' CG ' ' H ' ' B' ' 50' ' ' HIS . 7.0 p-10 -170.43 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.67 177.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.65 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 67.5 m80 -143.87 -57.22 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 173.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 12.9 t -172.13 141.68 1.32 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.663 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.506 ' HD2' ' CZ2' ' B' ' 25' ' ' TRP . 56.8 mttm -117.78 -67.84 0.96 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 171.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 73.6 mtm -123.66 17.06 9.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 172.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -112.04 78.65 0.25 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.094 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -96.83 -47.93 5.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.461 0.648 . . . . 0.0 109.857 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.466 ' O ' ' HB3' ' A' ' 55' ' ' LYS . . . 91.62 -179.1 41.54 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.961 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.687 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 8.8 tt -148.94 141.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.42 0.288 . . . . 0.0 110.284 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.5 m -97.92 117.93 33.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.336 0.589 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.561 HD22 ' HD3' ' A' ' 27' ' ' LYS . 56.4 mt -104.61 138.44 40.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.793 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.411 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 32.6 t -83.8 165.9 18.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -60.43 -27.68 67.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -64.09 -62.08 1.86 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.455 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.835 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 16.7 pm0 -72.17 -23.56 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 -177.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.574 ' O ' HG22 ' B' ' 68' ' ' VAL . 11.4 t80 -64.84 -52.47 56.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.118 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . 0.405 HE22 ' HB3' ' A' ' 75' ' ' LEU . 7.6 tp-100 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.113 0.483 . . . . 0.0 109.88 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.7 m -53.63 -51.54 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.514 ' HE2' ' CE2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -71.07 -32.06 68.63 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.598 -176.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.574 HG22 ' O ' ' B' ' 64' ' ' PHE . 66.1 t -53.61 -48.31 59.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.289 0.566 . . . . 0.0 110.063 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.0 -42.43 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.926 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.34 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.453 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.578 ' CE2' ' HE1' ' A' ' 67' ' ' MET . 17.6 m-85 -72.46 -28.2 62.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.145 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 7.9 mmtp -64.25 -30.34 71.4 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.502 0.668 . . . . 0.0 110.171 171.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.57 27.87 18.54 Favored Glycine 0 C--N 1.316 -0.551 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.269 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -143.2 -64.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 64' ' ' PHE . 6.2 mp -89.82 -31.49 17.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' B' ' 72' ' ' LYS . 24.2 tp10 -76.99 89.76 3.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.908 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -129.3 -51.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.349 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -156.95 139.11 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -128.61 118.35 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.156 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -95.02 46.71 1.13 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.6 0.714 . . . . 0.0 110.113 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -68.79 -19.12 64.29 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.851 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.246 0.87 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.862 174.785 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.724 0.297 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -99.87 135.61 41.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.138 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -75.21 126.18 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.963 0.411 . . . . 0.0 110.436 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.7 ttt -168.26 152.13 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.457 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.21 163.77 24.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 175.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.0 82.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.042 0.448 . . . . 0.0 110.362 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 58.89 -160.85 0.27 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.087 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m -115.73 118.48 33.16 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 171.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' SER . 50.5 p90 -126.41 147.48 49.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 111.566 -174.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.49 153.61 33.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.376 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.57 96.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 109.737 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' HG3' ' HB3' ' A' ' 39' ' ' ALA . 44.9 mm-40 -60.65 -43.18 97.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.1 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -157.42 126.21 5.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -83.57 103.89 13.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.411 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 29' ' ' ILE . 67.7 mt -77.35 -64.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 -175.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' B' ' 67' ' ' MET . 87.8 mt -134.47 147.1 50.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.607 -173.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -106.56 117.45 34.08 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 10.0 mt -83.03 -68.41 0.71 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.549 ' HB3' ' OE2' ' B' ' 63' ' ' GLU . 22.8 t -179.8 171.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.571 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 13.4 tt0 -115.94 120.11 38.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.27 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 4.2 p-10 -115.36 169.57 9.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.436 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 57.98 15.85 3.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.975 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 58.56 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.392 0.615 . . . . 0.0 111.231 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.73 -34.99 5.36 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.749 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.519 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 40.0 m95 -76.37 96.49 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.286 0.565 . . . . 0.0 110.037 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 7.0 m -94.14 138.39 32.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' A' ' 45' ' ' ALA . 35.5 mtmm -108.44 125.09 51.37 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -140.39 170.34 16.0 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.911 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.486 HG12 HG12 ' A' ' 43' ' ' ILE . 67.2 mt -120.84 119.8 60.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -147.2 166.63 26.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.222 0.534 . . . . 0.0 111.544 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.497 ' HD3' ' HB1' ' A' ' 39' ' ' ALA . 54.5 mtt180 -87.09 141.09 28.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.939 174.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -126.98 133.53 68.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 20.8 p -113.11 123.4 50.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.146 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.48 113.11 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.639 0.257 . . . . 0.0 111.601 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 70.76 -60.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.957 0.903 . . . . 0.0 111.881 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.4 -127.38 4.22 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.685 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -135.54 42.99 0.81 Allowed Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.685 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 4.4 Cg_endo -85.72 93.02 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.161 1.907 . . . . 0.0 110.476 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.501 ' HB3' ' HG3' ' A' ' 12' ' ' GLU . . . -81.27 99.46 8.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.001 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 75.0 mttt -101.8 174.4 5.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 171.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -100.3 125.98 46.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.611 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.534 ' OD1' ' HB2' ' A' ' 44' ' ' ARG . 15.5 t70 -124.51 126.39 45.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.486 HG12 HG12 ' A' ' 29' ' ' ILE . 59.3 mt -98.59 104.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 173.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.534 ' HB2' ' OD1' ' A' ' 42' ' ' ASP . 3.2 tpp180 -118.54 143.06 47.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.304 0.573 . . . . 0.0 112.505 -167.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' A' ' 27' ' ' LYS . . . -111.01 106.36 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.877 168.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.519 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 60.7 p-90 -108.77 143.04 38.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.093 0.473 . . . . 0.0 111.645 -175.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.415 ' O ' ' HE3' ' A' ' 46' ' ' TRP . 5.6 p -76.42 160.12 78.22 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.406 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.31 -31.1 55.1 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.861 2.374 . . . . 0.0 112.594 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -122.14 147.96 45.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -88.53 14.69 9.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -171.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.3 p -81.68 -10.32 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.799 0.333 . . . . 0.0 111.555 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -108.64 177.6 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.117 0.484 . . . . 0.0 111.414 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -92.97 170.16 9.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.856 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.55 125.68 1.42 Allowed Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -77.91 149.13 34.28 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.359 0.599 . . . . 0.0 111.272 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.496 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -164.05 -172.02 31.0 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.499 HD11 ' HD2' ' B' ' 27' ' ' LYS . 10.2 tp -140.11 128.91 26.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 117.292 0.546 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 p -91.01 118.71 30.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.702 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.48 134.4 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.017 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 m -83.41 166.35 18.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.807 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -55.53 -36.43 66.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.231 0.538 . . . . 0.0 110.961 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.91 -54.41 46.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.878 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.18 -38.51 85.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.772 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.645 ' HD2' HD21 ' B' ' 75' ' ' LEU . 3.2 t80 -61.61 -53.77 51.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.862 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -59.28 -38.15 79.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.678 0.275 . . . . 0.0 110.808 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -55.94 -49.93 72.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.57 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.514 ' HA ' HD12 ' B' ' 16' ' ' LEU . 22.3 ptt? -67.24 -36.57 81.91 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.291 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.565 HG12 ' HE3' ' A' ' 72' ' ' LYS . 77.7 t -59.33 -50.04 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.223 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.524 ' HA ' ' HG2' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -63.02 -43.39 98.89 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.869 0.366 . . . . 0.0 111.497 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.25 -40.92 91.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.099 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.497 ' HB3' HG13 ' B' ' 68' ' ' VAL . 22.6 m-85 -81.24 -35.28 31.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.935 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HE3' HG12 ' A' ' 68' ' ' VAL . 14.8 ptpt -64.22 -25.92 68.28 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.581 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -102.46 11.36 56.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.309 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.94 -59.69 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.265 0.532 . . . . 0.0 112.37 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.753 ' HB3' HG12 ' B' ' 68' ' ' VAL . 19.7 tp -91.45 164.4 13.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.083 -170.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HB3' ' HE2' ' B' ' 72' ' ' LYS . 1.0 OUTLIER 75.37 -73.56 0.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.484 0.714 . . . . 0.0 109.163 -179.088 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -173.15 151.39 2.08 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 169.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -87.23 157.1 19.4 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -53.94 134.88 43.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.826 0.346 . . . . 0.0 110.323 174.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -60.11 139.53 57.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.006 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -75.37 -38.22 60.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 109.819 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.611 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -93.58 81.44 4.33 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -139.75 7.14 2.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.022 -175.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.8 ttt -140.19 109.72 6.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.49 164.75 37.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.975 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -79.07 93.02 5.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.021 0.439 . . . . 0.0 110.323 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -63.73 -70.47 0.22 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.987 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.0 t -132.52 137.61 47.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -145.02 141.74 29.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.764 0.316 . . . . 0.0 110.172 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.94 153.32 52.11 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.443 ' N ' HD13 ' B' ' 11' ' ' ILE . 3.7 mp -83.05 111.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.355 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 9.8 mm-40 -75.82 -49.91 16.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -150.3 117.42 5.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.74 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -78.75 107.74 11.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.491 HD12 HG22 ' B' ' 29' ' ' ILE . 88.1 mt -65.94 -69.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.495 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 67' ' ' MET . 1.2 pt? -155.75 161.52 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -99.28 127.83 45.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.585 174.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 82.1 mt -82.21 -59.61 2.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.986 0.422 . . . . 0.0 110.136 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -154.6 160.14 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.87 106.02 8.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 2.9 t-20 -110.98 141.22 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.211 -169.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 63.81 10.63 5.31 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.865 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 47.3 tttm 56.79 84.23 0.09 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.033 0.533 . . . . 0.0 110.616 -176.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.516 ' HA3' ' HG3' ' B' ' 48' ' ' PRO . . . 136.48 -35.48 2.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.753 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.51 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 77.9 m95 -87.5 84.21 7.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 23.5 m -92.98 136.52 33.19 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.068 -173.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.499 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -105.46 122.73 46.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.404 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -151.3 175.57 12.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.611 . . . . 0.0 111.608 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.526 HG12 HG21 ' B' ' 43' ' ' ILE . 51.1 mt -131.11 123.75 54.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.912 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -143.79 166.47 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.102 0.477 . . . . 0.0 111.361 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.663 HH11 ' HB1' ' B' ' 39' ' ' ALA . 45.9 mtt-85 -85.23 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.838 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.81 126.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.375 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 6.2 p -99.84 136.46 39.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -113.2 108.32 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.121 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 59.47 36.84 23.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.496 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.76 67.78 1.62 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.403 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -147.17 158.71 44.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -46.53 125.48 9.31 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.327 2.685 . . . . 0.0 112.182 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.663 ' HB1' HH11 ' B' ' 31' ' ' ARG . . . -62.92 125.17 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.877 -175.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 58.5 mttp -106.81 169.7 8.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 177.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -99.47 116.83 32.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.3 . . . . 0.0 110.727 -174.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -112.17 121.65 45.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.526 HG21 HG12 ' B' ' 29' ' ' ILE . 56.8 mt -101.63 109.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.707 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 8.5 ptp180 -150.71 -173.72 4.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.511 0.672 . . . . 0.0 112.156 -174.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.4 ' HB3' ' HD3' ' B' ' 27' ' ' LYS . . . -122.36 150.05 42.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.01 175.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . 0.51 ' O ' ' HA ' ' B' ' 25' ' ' TRP . 96.9 m95 -108.52 149.94 28.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' B' ' 52' ' ' LYS . 23.1 p -100.73 154.03 37.4 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.548 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.516 ' HG3' ' HA3' ' B' ' 24' ' ' GLY . 38.1 Cg_exo -59.96 -65.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.895 2.397 . . . . 0.0 112.795 -177.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -151.51 165.41 34.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.43 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 70.7 14.94 7.08 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.47 0.708 . . . . 0.0 110.391 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 36.8 p 46.28 73.9 0.16 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.138 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.432 ' HB2' ' HB2' ' B' ' 47' ' ' SER . 60.5 mttm -81.47 173.83 12.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.902 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 26.0 mmt -77.29 108.65 10.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.189 0.518 . . . . 0.0 111.287 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.25 95.42 0.34 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -86.12 172.15 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.707 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . -169.8 -179.71 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.767 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.496 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 21.1 tt -132.28 140.29 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.148 0.499 . . . . 0.0 111.008 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -100.67 129.63 46.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.312 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.4 mt -113.66 140.2 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -81.67 173.09 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.328 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -52.58 -56.76 13.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.79 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -64.66 -43.69 92.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.549 ' OE2' ' HB3' ' A' ' 19' ' ' SER . 40.8 mt-10 -61.1 -40.61 94.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.685 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -67.39 -45.88 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.085 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -44.18 85.22 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.5 m -53.75 -51.98 61.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.69 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.466 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.73 -36.48 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.113 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.753 HG12 ' HB3' ' A' ' 75' ' ' LEU . 48.7 t -61.39 -48.38 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-O 120.62 0.248 . . . . 0.0 110.893 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.52 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 22.6 t70 -62.9 -40.82 98.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.394 . . . . 0.0 111.132 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.93 78.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.153 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.23 -26.52 61.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.74 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.52 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 23.9 ttpp -57.98 -37.45 74.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.273 0.558 . . . . 0.0 110.142 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.64 33.97 6.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.926 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -152.29 -178.65 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.645 HD21 ' HD2' ' A' ' 64' ' ' PHE . 6.5 mp 55.82 -162.34 0.16 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.823 0.449 . . . . 0.0 110.838 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 66.32 163.67 0.18 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.463 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -117.54 79.53 1.36 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.486 0.66 . . . . 0.0 109.494 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -104.07 144.93 30.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.079 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -70.9 -50.96 29.2 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -75.51 91.15 2.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.358 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -141.0 173.8 11.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.39 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.103 174.067 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -118.49 18.51 13.55 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 122.037 -0.414 . . . . 0.0 111.025 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 3' ' ' LYS . 33.0 tptt 61.92 24.01 14.23 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.682 173.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.9 ttp -70.31 129.01 38.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 68.85 19.49 8.31 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.906 0.754 . . . . 0.0 111.526 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -111.71 21.2 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.976 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -128.73 151.85 49.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.211 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.0 m -103.92 119.11 38.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.162 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -113.68 137.68 51.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -144.68 141.0 28.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.076 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.483 HG12 HG23 ' A' ' 32' ' ' VAL . 58.9 mt -81.86 114.94 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -91.2 -52.34 4.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.175 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 56.3 tt0 -127.23 143.92 51.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.402 -174.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -115.9 116.2 27.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 HG21 ' A' ' 29' ' ' ILE . 95.6 mt -76.19 -72.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.071 -174.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -158.31 164.62 36.22 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.145 0.498 . . . . 0.0 111.387 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.646 HG21 ' HG2' ' A' ' 28' ' ' GLU . 19.8 m -100.0 123.97 44.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.431 173.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 93.8 mt -77.8 -59.81 2.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.603 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.4 p -165.37 171.67 13.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 111.286 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -123.83 113.18 18.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 13.5 m120 -106.16 147.42 29.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 63.11 -86.95 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.357 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -178.02 82.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.45 -20.58 6.94 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.105 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.474 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 91.8 m95 -81.87 82.96 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 m -87.3 137.51 32.28 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.626 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 3.7 ttmp? -115.21 119.62 36.96 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.646 ' HG2' HG21 ' A' ' 17' ' ' THR . 37.0 mt-10 -138.11 167.34 22.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.039 0.447 . . . . 0.0 111.062 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.511 HG12 HG22 ' A' ' 43' ' ' ILE . 40.0 mt -130.5 130.14 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.52 -0.763 . . . . 0.0 108.983 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.59 -174.99 4.75 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 12.3 mtp85 -121.62 106.08 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.792 -177.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG23 HG12 ' A' ' 11' ' ' ILE . 77.7 t -101.23 140.55 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.39 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 t -108.79 146.24 33.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 0.0 110.368 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -118.25 111.71 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.697 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 68.32 -73.11 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.563 0.745 . . . . 0.0 111.283 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.07 54.88 0.41 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . . . -98.61 163.66 18.54 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 37' ' ' ALA . 66.2 Cg_endo -75.33 17.21 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.577 2.185 . . . . 0.0 112.385 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 31' ' ' ARG . . . 67.05 105.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.451 0.7 . . . . 0.0 111.31 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 67.4 mttm -94.69 175.27 6.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.348 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -100.69 136.61 40.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.37 132.4 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.413 0.625 . . . . 0.0 110.493 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.511 HG22 HG12 ' A' ' 29' ' ' ILE . 59.8 mt -107.04 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.062 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.826 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 77.3 mtp180 -132.25 162.02 32.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.46 0.648 . . . . 0.0 112.075 -172.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -111.45 142.61 43.5 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.047 171.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.474 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 78.1 m95 -108.06 125.09 51.16 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.9 0.381 . . . . 0.0 110.224 -178.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t -73.19 153.1 90.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.965 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.9 103.88 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.378 2.052 . . . . 0.0 110.901 172.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' A' ' 50' ' ' HIS . 15.8 t70 68.13 -163.75 0.2 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.077 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.558 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 37.2 m-70 -89.65 37.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.274 0.559 . . . . 0.0 110.543 -173.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.9 p -75.89 -76.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.616 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -99.84 163.08 12.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.111 0.481 . . . . 0.0 111.283 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 40.5 tpp -82.92 114.57 21.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.238 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 45' ' ' ALA . . . -64.14 121.77 23.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.109 -177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -63.0 145.71 54.81 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.793 0.349 . . . . 0.0 110.097 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.826 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . -174.54 160.22 29.47 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.621 -178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.5 tp -124.05 133.77 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.898 0.38 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.8 m -94.58 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.329 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.77 132.93 52.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.067 0.46 . . . . 0.0 110.745 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t -78.0 172.66 13.17 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -53.64 54.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.537 -173.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.1 -42.59 96.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.334 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 39.2 mt-10 -60.57 -46.4 90.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.413 0.625 . . . . 0.0 110.235 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.528 ' O ' ' HG2' ' A' ' 67' ' ' MET . 15.8 t80 -63.47 -46.7 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.095 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.18 -37.67 77.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.3 m -54.79 -52.69 61.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 15.6 ptt? -66.78 -36.11 81.65 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.617 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.513 HG23 HD22 ' B' ' 75' ' ' LEU . 43.9 t -59.56 -61.04 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.293 -176.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.24 -37.27 82.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.923 0.392 . . . . 0.0 110.6 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.64 55.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.254 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' HB3' HG23 ' B' ' 68' ' ' VAL . 23.0 m-85 -72.39 -32.08 66.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.616 0.246 . . . . 0.0 111.025 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.854 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 64.1 tttm -53.21 -36.26 60.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.461 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.34 1.35 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -148.69 -65.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.86 0.33 . . . . 0.0 111.745 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 HG21 ' B' ' 68' ' ' VAL . 25.6 tp -65.38 -39.96 92.91 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.998 -173.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.511 ' CD ' ' HZ2' ' B' ' 72' ' ' LYS . 16.6 tt0 -72.56 102.34 3.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 174.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.43 -175.48 5.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.672 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -75.1 69.49 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.256 0.551 . . . . 0.0 111.257 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -69.13 124.21 23.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.195 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -138.79 160.13 40.44 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.448 -173.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.5 t60 72.98 86.57 0.11 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 124.165 0.916 . . . . 0.0 109.668 -175.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.8 t60 . . . . . 0 C--O 1.249 1.044 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.464 -175.143 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.608 ' O ' ' HA ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -79.31 -8.25 58.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.694 0.759 . . . . 0.0 110.271 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.547 ' N ' ' HD2' ' B' ' 3' ' ' LYS . 0.2 OUTLIER -84.65 127.01 33.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.045 175.305 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' B' ' 3' ' ' LYS . 72.4 mtm 68.06 -168.4 0.19 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.773 0.671 . . . . 0.0 111.206 -173.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.08 -18.39 32.52 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -172.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.81 76.91 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.476 0.655 . . . . 0.0 110.566 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.608 ' HA ' ' O ' ' B' ' 1' ' ' MET . 48.0 t80 -75.3 -79.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.678 -173.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.5 p -103.28 128.37 50.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.434 ' HB2' HG11 ' B' ' 32' ' ' VAL . 25.3 p90 -119.23 121.1 38.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.809 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.736 ' HB2' ' HB3' ' B' ' 33' ' ' SER . 18.6 mt-10 -120.08 117.23 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.177 -177.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.57 99.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 0.0 110.076 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -88.46 -50.17 6.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.063 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 38.4 tt0 -125.25 125.72 44.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.626 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -99.7 121.98 42.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -97.01 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.794 -175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 67' ' ' MET . 88.0 mt -132.79 147.23 52.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.478 ' HA ' ' HG2' ' B' ' 28' ' ' GLU . 45.3 m -106.16 101.08 10.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.1 -64.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.612 -172.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.444 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 41.4 t -155.04 150.73 27.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.766 -175.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -105.67 102.63 12.07 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -115.4 153.44 31.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 64.74 5.82 2.98 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.821 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.9 mttm 52.25 81.79 0.08 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.442 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.22 -26.3 3.4 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.166 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -103.85 93.97 5.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.855 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -87.21 137.18 32.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.202 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 35.3 ttpt -117.28 116.08 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.478 ' HG2' ' HA ' ' B' ' 17' ' ' THR . 46.7 mt-10 -134.8 170.74 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.438 0.637 . . . . 0.0 111.718 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.501 HG12 HG22 ' B' ' 43' ' ' ILE . 60.9 mt -117.78 136.37 55.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.843 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.483 ' N ' HD21 ' B' ' 30' ' ' ASN . 0.1 OUTLIER -164.68 -174.23 3.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -176.593 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.477 ' HD3' ' CE2' ' B' ' 41' ' ' PHE . 41.1 mtm180 -125.41 114.11 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.963 0.411 . . . . 0.0 110.502 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.434 HG11 ' HB2' ' B' ' 9' ' ' PHE . 58.2 t -100.34 137.11 28.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.886 -178.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.736 ' HB3' ' HB2' ' B' ' 10' ' ' GLU . 30.1 t -82.16 117.95 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.197 173.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.74 105.2 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 64.15 16.0 9.71 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.487 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.56 -149.48 16.74 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -174.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.65 171.61 0.09 OUTLIER Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.59 0.356 . . . . 0.0 111.362 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 52.2 Cg_exo -56.77 125.28 18.49 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.132 1.888 . . . . 0.0 111.906 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.06 125.21 16.55 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.896 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.754 ' HE3' ' HA ' ' B' ' 40' ' ' LYS . 0.6 OUTLIER -86.12 152.47 22.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.541 -177.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.477 ' CE2' ' HD3' ' B' ' 31' ' ' ARG . 22.6 m-85 -80.77 128.84 34.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.662 ' HB3' HG22 ' B' ' 58' ' ' THR . 8.3 p-10 -138.72 136.41 35.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.503 0.668 . . . . 0.0 111.424 178.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.501 HG22 HG12 ' B' ' 29' ' ' ILE . 52.9 mt -116.44 113.05 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.901 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.548 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 4.4 ppt_? -162.58 177.52 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.876 0.369 . . . . 0.0 111.695 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -114.58 155.86 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.951 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . 0.427 ' HB2' ' HA ' ' B' ' 51' ' ' THR . 67.8 p-90 -130.1 154.88 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.411 ' HB2' ' CB ' ' B' ' 52' ' ' LYS . 1.5 m -119.45 167.95 11.08 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.688 -170.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.405 ' O ' ' HB2' ' B' ' 49' ' ' ASP . 43.8 Cg_exo -57.88 103.7 0.15 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.187 2.591 . . . . 0.0 113.202 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' B' ' 48' ' ' PRO . 14.4 t70 163.31 -76.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.839 1.255 . . . . 0.0 107.768 177.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -153.84 -47.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.02 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.427 ' HA ' ' HB2' ' B' ' 46' ' ' TRP . 33.1 m -152.27 -37.92 0.11 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.708 175.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.411 ' CB ' ' HB2' ' B' ' 47' ' ' SER . 31.6 tttp 68.41 -80.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.526 0.73 . . . . 0.0 110.542 -177.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 66.4 mtt -146.95 116.07 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.48 83.31 1.6 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.486 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -79.34 115.81 19.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.548 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . 173.89 -154.72 20.31 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.527 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 11.6 tt -138.19 138.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.97 0.414 . . . . 0.0 111.154 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.662 HG22 ' HB3' ' B' ' 42' ' ' ASP . 16.7 p -102.95 133.04 48.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.493 174.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.764 HD23 ' HD1' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -144.27 168.64 19.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.722 0.296 . . . . 0.0 111.458 -173.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.542 ' HA ' ' HE2' ' B' ' 40' ' ' LYS . 12.1 t -96.6 173.18 7.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.367 0.603 . . . . 0.0 111.773 -171.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -29.37 70.61 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.618 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.96 -60.13 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.626 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 mp0 -57.71 -39.75 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.847 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.764 ' HD1' HD23 ' B' ' 59' ' ' LEU . 1.0 OUTLIER -56.65 -48.13 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.347 -178.795 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -67.07 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.406 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.9 m -57.06 -49.46 75.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.423 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 23.6 ptt? -68.37 -32.79 73.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 64' ' ' PHE . 48.6 t -60.89 -44.28 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.42 -48.45 72.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.448 . . . . 0.0 110.728 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.12 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.285 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 24.9 m-85 -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.854 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 81.2 tttt -76.94 -25.54 53.01 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 -11.09 50.4 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.827 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -123.27 166.66 14.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.447 -0.443 . . . . 0.0 110.168 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.513 HD22 HG23 ' A' ' 68' ' ' VAL . 5.6 mp 58.42 -162.49 0.22 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.37 0.268 . . . . 0.0 110.477 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 77.06 -41.6 0.39 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.783 0.677 . . . . 0.0 110.171 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' B' ' 75' ' ' LEU . 14.1 p80 42.45 70.14 0.32 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.414 1.086 . . . . 0.0 112.654 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -98.71 54.91 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 173.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -159.19 153.85 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.505 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -70.3 178.03 3.05 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.044 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -75.26 170.18 16.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 0.0 110.72 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 p80 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.13 -179.62 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 121.111 0.482 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.64 165.06 25.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.149 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.41 139.42 58.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.279 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.71 111.42 23.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.075 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 34' ' ' PHE . . . -162.72 -51.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.035 0.445 . . . . 0.0 111.206 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.86 76.43 10.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.319 0.58 . . . . 0.0 111.172 -172.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -139.7 -77.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.366 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 t -133.94 161.87 33.6 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.606 -0.886 . . . . 0.0 108.606 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.566 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 49.2 p90 -140.68 147.24 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.631 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.7 149.68 33.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.586 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.84 98.99 7.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.5 -32.37 17.22 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.534 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 8.3 tp10 -123.44 141.57 51.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.941 0.4 . . . . 0.0 110.98 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -117.86 125.46 50.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.796 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.435 HD13 HG22 ' A' ' 29' ' ' ILE . 86.7 mt -100.58 -70.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.127 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 82.6 mt -134.98 147.62 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 -173.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -106.64 120.02 40.86 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 165.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 mt -87.98 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p -161.01 163.76 31.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 112.165 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -102.85 107.65 18.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.004 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.21 125.39 35.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.779 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 58.1 20.67 7.16 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.102 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 tttp 55.72 84.04 0.08 Allowed 'General case' 0 CA--C 1.53 0.177 0 O-C-N 123.699 0.624 . . . . 0.0 111.078 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.64 -51.06 0.54 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.908 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -86.5 98.22 10.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 137.36 32.41 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.93 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -112.74 131.24 55.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.875 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 11.7 pt-20 -148.09 174.0 12.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.337 0.589 . . . . 0.0 111.505 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.435 HG22 HD13 ' A' ' 15' ' ' LEU . 63.1 mt -123.31 122.54 65.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.734 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -148.05 -175.62 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.907 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.566 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 61.9 mtp180 -113.83 119.64 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.535 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.566 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 79.0 t -101.1 124.35 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.815 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' A' ' 37' ' ' ALA . 2.8 m -89.96 113.69 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.779 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' HB3' ' O ' ' A' ' 5' ' ' ALA . 95.9 m-85 -92.01 112.34 24.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.472 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 68.8 -63.67 0.35 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.853 0.861 . . . . 0.0 111.784 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.481 ' C ' ' HD3' ' A' ' 38' ' ' PRO . . . -98.47 -133.39 7.99 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.513 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -128.26 61.87 55.53 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.865 0.332 . . . . 0.0 111.808 174.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 93.6 Cg_endo -105.02 46.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 123.836 3.024 . . . . 0.0 110.687 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -52.85 107.05 0.19 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.572 -170.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -99.55 172.06 7.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.318 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.09 127.34 33.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.787 0.327 . . . . 0.0 110.282 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.494 ' OD1' ' HD2' ' A' ' 44' ' ' ARG . 13.0 t70 -130.99 119.11 21.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.1 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.581 HG22 HD11 ' B' ' 57' ' ' ILE . 54.2 mt -95.23 112.3 27.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' HD2' ' OD1' ' A' ' 42' ' ' ASP . 10.9 ptm85 -145.22 164.25 31.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.488 0.661 . . . . 0.0 112.145 -169.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.02 127.31 45.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.831 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -108.29 146.86 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.425 0.631 . . . . 0.0 111.122 -177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' A' ' 48' ' ' PRO . 3.9 m -88.94 161.21 41.75 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.892 -174.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 47' ' ' SER . 14.7 Cg_endo -58.63 -43.84 41.66 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.419 2.079 . . . . 0.0 111.498 176.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -158.59 -66.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.2 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -76.38 106.59 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.288 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.4 t -98.16 162.13 13.36 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.863 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -99.13 -87.22 0.35 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -129.49 -44.1 1.25 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.12 113.09 1.96 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.448 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -95.41 99.11 11.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.057 0.456 . . . . 0.0 109.97 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.54 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -139.06 173.29 22.74 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.54 ' HB ' ' HA2' ' B' ' 56' ' ' GLY . 20.2 tt -148.86 142.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.481 0.641 . . . . 0.0 112.08 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.8 p -92.16 143.09 26.79 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.053 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.7 mt -128.25 129.59 46.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -77.64 171.08 15.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.48 -42.78 88.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.55 -53.45 54.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.243 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.42 -41.52 98.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.143 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.48 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 29.4 t80 -65.21 -44.63 87.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.75 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -63.18 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -53.04 -51.45 61.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.299 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 16.5 ptt? -66.16 -40.73 90.77 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.877 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.452 HG23 HD23 ' B' ' 75' ' ' LEU . 66.8 t -57.48 -52.31 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.778 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 18.9 t70 -64.45 -48.21 76.17 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 110.936 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.17 86.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.563 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -82.69 -35.31 26.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -62.62 -28.08 69.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.94 -178.367 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.451 ' N ' ' HD3' ' A' ' 72' ' ' LYS . . . -105.49 33.83 6.23 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.335 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -155.44 -53.38 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.732 0.266 . . . . 0.0 111.398 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HG ' ' NE2' ' B' ' 65' ' ' GLN . 30.4 tp -109.49 33.59 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.81 -171.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -75.15 95.05 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.485 0.659 . . . . 0.0 109.835 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -98.98 26.62 5.63 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.184 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -53.92 134.79 43.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.718 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -53.58 127.11 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 110.36 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -72.79 157.81 36.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.16 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -132.48 159.43 39.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.179 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.3 m80 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.816 179.527 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt 74.2 -41.43 0.48 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.958 0.903 . . . . 0.0 111.786 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -82.35 93.6 7.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.709 0.766 . . . . 0.0 110.223 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.41 2.67 42.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.445 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.15 102.89 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.62 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -99.14 -13.71 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.998 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 35.5 p90 49.24 179.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.707 1.203 . . . . 0.0 113.323 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 36.6 m -133.21 118.58 18.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.126 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -108.11 133.22 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 151.11 36.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.218 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.7 mt -93.95 107.39 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.198 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.625 ' HG3' ' HG ' ' B' ' 33' ' ' SER . 22.3 mm-40 -78.54 -40.41 35.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.154 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -149.09 114.81 5.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.106 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -98.36 125.41 43.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.35 -73.84 0.22 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.619 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.45 148.79 29.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.081 0.467 . . . . 0.0 110.72 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.6 m -86.03 121.35 28.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.535 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.26 -63.21 1.13 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.4 m -164.4 170.92 15.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.36 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -106.79 107.35 18.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 172.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.417 ' OD1' ' HG2' ' B' ' 22' ' ' GLU . 6.6 t-20 -90.31 130.56 36.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.028 -170.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.417 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 22.1 mm-40 59.95 23.37 12.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.03 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 52.11 87.95 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.443 0.639 . . . . 0.0 111.704 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.83 -47.21 0.95 Allowed Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.796 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.431 ' HH2' ' HE2' ' B' ' 53' ' ' MET . 39.1 m95 -86.45 97.55 10.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 0.0 109.748 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -85.4 137.47 32.91 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.402 ' CD ' HD11 ' A' ' 57' ' ' ILE . 30.3 ttpt -119.58 117.92 29.64 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -176.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' B' ' 29' ' ' ILE . 31.0 tt0 -135.86 155.5 50.22 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.85 -170.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.582 HG12 HG12 ' B' ' 43' ' ' ILE . 59.5 mt -108.69 115.61 49.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.334 173.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.26 174.45 10.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.847 0.356 . . . . 0.0 111.142 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.45 ' HB3' ' HB2' ' B' ' 39' ' ' ALA . 78.4 mtp180 -109.75 119.73 40.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.671 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.83 137.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.996 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.625 ' HG ' ' HG3' ' B' ' 12' ' ' GLU . 66.4 m -114.91 144.54 43.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 176.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.26 108.42 15.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.969 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 71.28 -61.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.047 0.842 . . . . 0.0 111.33 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.36 -149.54 24.63 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 175.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 63.42 60.61 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.374 0.587 . . . . 0.0 112.238 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.2 -26.85 4.82 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.216 1.944 . . . . 0.0 111.227 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' B' ' 31' ' ' ARG . . . 43.76 78.78 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.773 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 95.3 mttt -91.89 157.55 16.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -79.02 128.53 33.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.036 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.34 134.03 44.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.866 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.582 HG12 HG12 ' B' ' 29' ' ' ILE . 52.4 mt -114.37 108.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.631 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.528 ' HA ' HD13 ' A' ' 57' ' ' ILE . 18.4 ptp180 -147.21 173.74 12.26 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.717 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.58 147.0 35.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.968 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -111.63 135.22 52.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.024 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.838 ' HB2' ' HA ' ' B' ' 51' ' ' THR . 5.4 m -82.01 142.01 47.71 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.393 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.23 127.02 14.39 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.64 2.227 . . . . 0.0 111.881 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 58.85 92.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.765 0.666 . . . . 0.0 111.272 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 66.26 104.56 0.04 OUTLIER 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.275 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.838 ' HA ' ' HB2' ' B' ' 47' ' ' SER . 9.4 t -62.52 143.22 57.44 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.092 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -115.13 -71.0 0.76 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.227 -172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' MET . . . . . 0.431 ' HE2' ' HH2' ' B' ' 25' ' ' TRP . 4.4 mpp? -108.6 97.9 7.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.909 177.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.22 62.71 4.52 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.784 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -74.98 127.56 33.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.197 0.523 . . . . 0.0 110.799 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.54 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . -177.49 -174.99 44.36 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.581 HD11 HG22 ' A' ' 43' ' ' ILE . 17.3 tt -136.93 133.53 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.225 0.536 . . . . 0.0 111.577 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -89.26 135.53 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.121 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -120.86 144.15 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.759 0.314 . . . . 0.0 110.708 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.4 m -79.77 168.0 19.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -56.2 -51.55 67.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.99 -49.3 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.136 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -57.0 -47.0 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.253 0.549 . . . . 0.0 110.629 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.479 ' O ' HG22 ' B' ' 68' ' ' VAL . 7.3 t80 -62.19 -51.58 67.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.493 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . 0.557 ' NE2' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.52 -38.68 72.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.704 176.506 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.0 m -60.14 -49.02 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.19 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 17.5 ptt? -64.64 -35.36 80.78 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.524 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.52 HG21 HD21 ' A' ' 75' ' ' LEU . 96.5 t -62.79 -57.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 0.0 110.477 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.9 -51.95 62.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.011 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 -50.95 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.132 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.48 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 14.8 m-85 -68.78 -28.86 67.15 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.698 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -63.35 -33.22 75.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.232 0.539 . . . . 0.0 110.068 174.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.98 25.38 26.55 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.446 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -141.1 -68.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.788 0.294 . . . . 0.0 111.383 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.452 HD23 HG23 ' A' ' 68' ' ' VAL . 36.8 tp -80.28 -25.57 39.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.141 -0.223 . . . . 0.0 111.333 -172.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -62.66 113.34 2.94 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.142 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -133.23 110.44 10.12 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.551 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -93.17 147.0 23.26 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 171.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -71.19 -6.15 37.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.466 0.651 . . . . 0.0 109.52 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -110.01 105.45 14.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.063 173.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 29.5 m170 68.86 89.46 0.1 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.617 0.767 . . . . 0.0 112.967 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 . . . . . 0 C--O 1.252 1.224 0 CA-C-O 117.815 -1.088 . . . . 0.0 113.151 171.314 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 tpp . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.992 0.425 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -152.81 143.4 22.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.764 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -76.67 84.5 3.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.967 0.889 . . . . 0.0 110.13 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.444 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 36.5 ttp -149.73 -171.72 3.97 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -178.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' H ' ' HG2' ' A' ' 4' ' ' MET . . . -64.74 88.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.57 0.623 . . . . 0.0 109.632 170.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.92 131.96 27.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.546 -174.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -82.51 100.46 10.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.989 0.423 . . . . 0.0 110.67 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 p -80.18 118.24 21.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.624 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' SER . 21.2 p90 -104.46 127.99 52.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 109.823 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -137.15 146.97 45.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.621 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.477 HD12 ' HZ2' ' A' ' 46' ' ' TRP . 64.3 mt -77.97 117.29 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.572 ' HG3' ' HB1' ' A' ' 39' ' ' ALA . 3.1 mm-40 -84.16 -44.89 13.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -155.28 127.17 7.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -78.88 116.08 18.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.89 -53.36 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.496 HD21 HD21 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -154.38 113.13 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 -174.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.6 m -88.9 106.69 18.56 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.496 HD21 HD21 ' A' ' 16' ' ' LEU . 89.1 mt -73.7 -67.17 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.064 -169.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -168.95 172.28 7.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -172.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 32.3 tt0 -117.34 124.05 47.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' N ' HD21 ' A' ' 21' ' ' ASN . 0.9 OUTLIER -94.34 128.35 40.78 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 53.97 28.82 9.11 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.648 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.513 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 52.5 88.89 0.03 OUTLIER 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.575 -175.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.23 -65.4 0.35 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.115 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -84.59 100.26 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.268 0.556 . . . . 0.0 110.621 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 6.8 m -86.93 139.76 30.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.141 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -113.73 122.72 47.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -139.28 151.55 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.491 0.662 . . . . 0.0 111.737 -171.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.482 HG12 HG12 ' A' ' 43' ' ' ILE . 63.0 mt -114.03 126.03 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.063 174.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.556 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -151.18 167.19 28.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.495 -173.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 51.4 mtp180 -99.63 125.92 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.721 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.9 t -113.33 130.54 67.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.048 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.47 ' HB2' ' CG ' ' A' ' 12' ' ' GLU . 39.5 t -90.21 127.1 36.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.717 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -109.04 108.43 19.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.423 ' CG ' ' H ' ' A' ' 36' ' ' GLY . 23.7 p-10 32.03 -86.45 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.242 1.417 . . . . 0.0 113.968 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' A' ' 35' ' ' ASN . . . -121.15 53.3 0.71 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.131 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . -148.78 148.93 29.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 122.067 0.147 . . . . 0.0 110.676 -178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 35.7 Cg_exo -61.11 142.94 98.56 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.825 2.35 . . . . 0.0 112.013 178.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.572 ' HB1' ' HG3' ' A' ' 12' ' ' GLU . . . -59.45 123.04 15.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.348 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 70.7 mmtt -92.03 178.62 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.867 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -102.14 123.01 45.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 36.5 t70 -129.52 124.93 35.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.974 0.416 . . . . 0.0 111.178 -175.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.482 HG12 HG12 ' A' ' 29' ' ' ILE . 60.1 mt -96.76 111.71 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.49 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 37.8 ttp-105 -138.44 158.01 45.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.186 0.517 . . . . 0.0 111.853 -165.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.77 143.8 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.79 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.477 ' HZ2' HD12 ' A' ' 11' ' ' ILE . 94.8 m95 -107.98 129.36 55.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.186 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.38 140.71 52.48 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.22 -31.29 75.53 Favored 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.494 2.796 . . . . 0.0 114.655 -169.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -102.0 -88.55 0.38 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.982 0.42 . . . . 0.0 111.195 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -113.64 178.07 4.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 m -74.65 90.69 2.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.788 0.328 . . . . 0.0 110.952 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.613 ' HZ1' ' HB3' ' A' ' 52' ' ' LYS . 7.3 mtpm? -80.2 -64.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.7 mtt -138.0 84.58 2.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.786 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.05 64.11 3.98 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -85.9 150.69 24.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.408 0.623 . . . . 0.0 111.483 -175.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.46 -144.57 5.9 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.799 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.702 HD12 HG22 ' B' ' 43' ' ' ILE . 19.7 tt -153.88 130.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.24 0.543 . . . . 0.0 111.167 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.0 m -93.75 143.72 26.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.731 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -127.82 148.75 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 m -81.3 162.91 23.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.33 -45.43 76.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 62' ' ' GLU . 2.4 mp0 -57.67 -48.95 78.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.38 -42.58 92.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.575 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.487 ' O ' ' HG2' ' A' ' 67' ' ' MET . 26.0 t80 -63.9 -45.64 88.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.566 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -35.34 79.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.6 m -57.69 -52.21 66.39 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.341 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 17.9 ptt? -62.06 -39.96 94.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.602 0.239 . . . . 0.0 110.472 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.475 HG21 HD22 ' B' ' 75' ' ' LEU . 94.0 t -61.96 -47.89 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.879 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.88 -46.75 77.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.615 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -63.48 -41.86 98.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.434 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 74' ' ' ASN . 19.6 m-85 -75.36 -27.7 59.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.164 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.734 ' HG3' ' HE2' ' B' ' 72' ' ' LYS . 80.2 tttt -56.49 -40.01 74.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.91 39.28 2.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.952 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.464 ' HB3' ' HA ' ' A' ' 71' ' ' PHE . 3.7 t-20 -147.77 -75.34 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 111.56 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.503 ' HB3' HG13 ' B' ' 68' ' ' VAL . 22.3 tp -91.26 21.18 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.742 -169.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.486 ' HB3' ' HE3' ' B' ' 72' ' ' LYS . 3.8 pt-20 -81.7 -15.54 54.11 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 172.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -103.82 82.8 2.04 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.662 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -92.42 126.41 37.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 168.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -114.52 124.83 52.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.196 0.522 . . . . 0.0 111.23 -173.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -111.47 136.97 49.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.62 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -116.89 148.18 41.54 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.1 t60 . . . . . 0 C--O 1.243 0.76 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.748 178.48 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.591 0.234 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.58 ' HD3' ' H ' ' B' ' 2' ' ' LYS . 0.5 OUTLIER -116.42 -28.89 6.34 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.254 -178.257 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -168.39 154.0 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -134.26 166.89 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.633 0.254 . . . . 0.0 110.42 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.59 114.8 26.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.581 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 58.38 -101.76 0.13 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.277 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -173.23 176.48 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.638 ' HB ' ' HA ' ' B' ' 35' ' ' ASN . 27.9 m -113.91 139.04 49.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -157.7 136.61 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.901 0.382 . . . . 0.0 110.441 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -150.24 153.19 35.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.446 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.429 HD12 ' OD1' ' B' ' 30' ' ' ASN . 12.5 mm -93.76 102.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -83.34 -27.58 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -155.81 129.6 8.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.754 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -106.9 113.73 27.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.491 HD12 HG22 ' B' ' 29' ' ' ILE . 39.5 mt -57.37 -70.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 -167.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.615 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -158.07 146.17 18.69 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.154 0.502 . . . . 0.0 111.377 175.327 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 m -76.23 117.56 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.04 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.4 -58.94 3.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.774 0.321 . . . . 0.0 110.359 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.6 t -170.42 160.27 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -103.62 126.36 50.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.648 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.71 142.23 34.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.076 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.0 -19.63 32.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.913 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.12 -1.28 14.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.586 0.231 . . . . 0.0 111.359 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.32 26.81 27.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.568 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -115.5 158.64 22.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m -124.41 138.03 54.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.116 0.484 . . . . 0.0 111.053 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.482 ' HD2' HD11 ' A' ' 57' ' ' ILE . 35.8 ttpt -118.01 118.98 33.41 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 40.9 tt0 -140.0 152.6 46.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.714 -173.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.499 HG12 HG21 ' B' ' 43' ' ' ILE . 55.5 mt -101.92 123.16 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 173.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.46 HD21 ' H ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -131.36 174.77 9.74 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.997 -174.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.588 ' HG2' ' HB3' ' B' ' 39' ' ' ALA . 32.7 ttp85 -125.33 114.19 18.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 20.4 t -106.61 133.75 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.623 -169.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -83.75 103.15 12.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -91.75 112.34 24.22 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.428 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.638 ' HA ' ' HB ' ' B' ' 8' ' ' THR . 94.1 m-20 66.59 -70.7 0.1 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.273 0.983 . . . . 0.0 111.636 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.84 -136.7 8.85 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.25 54.8 13.31 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -85.25 -26.15 1.5 Allowed 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.784 1.656 . . . . 0.0 111.372 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.588 ' HB3' ' HG2' ' B' ' 31' ' ' ARG . . . 51.12 85.54 0.04 OUTLIER 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.56 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.12 158.71 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.767 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.566 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 46.7 m-85 -90.57 135.29 33.8 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -135.57 129.43 32.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.702 HG22 HD12 ' A' ' 57' ' ' ILE . 45.5 mt -109.39 115.03 48.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -142.74 163.05 33.86 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.489 0.662 . . . . 0.0 112.245 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.12 113.97 27.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.545 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -118.13 163.1 17.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.063 0.459 . . . . 0.0 111.489 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.538 ' HB2' ' O ' ' B' ' 50' ' ' HIS . 41.4 m -120.82 161.24 41.05 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -63.51 -77.57 0.01 OUTLIER 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.867 2.378 . . . . 0.0 112.831 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -23.59 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.137 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.538 ' O ' ' HB2' ' B' ' 47' ' ' SER . 47.0 m170 -73.3 126.54 30.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.297 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 7.0 p -81.45 -42.94 19.6 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.818 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 pttp 43.07 -153.74 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.337 1.023 . . . . 0.0 111.722 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 16.4 ptp -112.37 134.04 54.13 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.46 113.13 4.63 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.499 -175.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -106.63 150.54 26.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.252 0.548 . . . . 0.0 110.505 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.455 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 168.77 -157.43 29.52 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -177.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 tt -158.84 135.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 117.542 0.671 . . . . 0.0 111.256 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 11.5 m -96.01 144.35 26.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.228 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -127.88 146.13 50.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.824 0.345 . . . . 0.0 110.477 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.512 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 6.3 m -85.27 173.87 10.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.398 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.566 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 5.2 p30 -54.06 -58.73 6.23 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.288 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.4 -42.72 96.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.336 . . . . 0.0 111.233 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.512 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 24.9 mt-10 -61.4 -48.27 81.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 -177.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.479 ' HD2' HD22 ' A' ' 75' ' ' LEU . 13.6 t80 -68.52 -38.72 81.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.414 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.37 -44.08 97.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.284 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.7 m -56.43 -44.95 80.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.416 ' HA ' ' CD1' ' A' ' 16' ' ' LEU . 57.1 ttp -59.22 -57.56 12.5 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.184 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 75' ' ' LEU . 82.6 t -56.57 -54.39 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.652 -176.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' B' ' 72' ' ' LYS . 31.1 t70 -58.35 -49.26 77.84 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.862 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 16' ' ' LEU . . . -63.92 -44.9 91.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.161 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -69.33 -42.49 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.734 ' HE2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.12 -26.48 68.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -175.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.43 8.49 64.38 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.576 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -126.04 -63.54 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.432 -0.452 . . . . 0.0 111.758 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 68' ' ' VAL . 55.7 tp -93.03 87.71 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 111.079 -174.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.19 110.0 0.57 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -78.87 -8.35 58.75 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -168.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 43.1 m80 64.45 -77.87 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -122.92 50.23 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.0 110.454 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 71.37 -50.67 0.69 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.774 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -96.36 136.66 36.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 119.259 -0.4 . . . . 0.0 110.641 -179.657 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.821 -0.066 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt 57.69 41.93 24.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.16 0.505 . . . . 0.0 110.631 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -112.12 139.55 47.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.945 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.9 mtm -140.96 -63.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.131 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.15 -82.23 0.03 OUTLIER 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.9 0.75 . . . . 0.0 111.53 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -94.52 170.18 9.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.865 0.364 . . . . 0.0 110.391 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.77 98.45 11.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 m -71.59 118.37 14.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.05 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.502 ' HA ' ' O ' ' A' ' 33' ' ' SER . 39.5 p90 -107.2 136.06 47.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.418 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -128.18 126.8 41.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.888 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.49 HG12 HG21 ' A' ' 32' ' ' VAL . 52.4 mt -81.97 95.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 -50.41 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.788 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -127.19 151.95 48.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -118.51 137.89 52.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 29' ' ' ILE . 2.0 mm? -88.31 -70.11 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.837 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.422 HD13 ' HB1' ' B' ' 70' ' ' ALA . 1.6 pt? -169.36 167.73 9.93 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 m -99.9 130.25 46.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 171.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -53.71 5.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -160.06 153.38 22.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.147 0.499 . . . . 0.0 111.548 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.14 113.94 19.65 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -109.95 140.65 43.7 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 63.7 24.07 13.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 pttp 46.32 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.375 1.07 . . . . 0.0 112.562 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -47.5 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.009 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -77.36 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.017 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.457 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 24.5 m -105.91 138.12 42.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.314 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -123.18 117.51 25.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -144.82 169.96 17.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -173.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.722 HG21 HD21 ' A' ' 15' ' ' LEU . 52.9 mt -126.87 133.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.942 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.499 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -148.45 169.39 20.34 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.74 -174.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 70.7 mtp180 -108.11 116.0 31.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.645 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.49 HG21 HG12 ' A' ' 11' ' ' ILE . 15.8 t -122.5 135.63 61.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -176.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.519 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 18.0 m -96.9 104.4 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.191 175.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -89.91 92.71 9.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.604 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 61.28 19.67 10.35 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.519 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -135.46 173.24 21.82 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.703 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.434 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -81.47 -52.41 0.8 Allowed Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 59.1 Cg_endo -72.2 117.13 4.99 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.335 2.023 . . . . 0.0 112.859 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.86 108.67 12.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HD2' ' HA ' ' A' ' 60' ' ' SER . 30.6 mtmt -84.09 169.99 14.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -86.04 114.19 22.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.557 ' HB2' HG23 ' A' ' 58' ' ' THR . 8.5 t70 -109.59 123.77 50.0 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.54 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.722 HG23 HD13 ' B' ' 57' ' ' ILE . 35.1 mt -100.15 111.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -126.44 131.99 51.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.261 0.553 . . . . 0.0 111.964 -170.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.79 107.4 15.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.409 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 54.7 p-90 -108.78 145.18 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.284 0.564 . . . . 0.0 111.742 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 p -89.06 162.46 37.73 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.886 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.27 0.66 7.65 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.661 2.241 . . . . 0.0 112.091 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -136.76 145.29 44.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.586 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -75.14 142.43 43.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.081 0.467 . . . . 0.0 111.734 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.7 m 70.16 84.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.707 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -154.91 -176.05 5.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.481 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.7 mmt -77.98 71.86 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.146 0.498 . . . . 0.0 111.497 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.08 113.79 4.84 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.71 135.48 41.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -156.63 149.3 20.08 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.93 137.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.769 0.319 . . . . 0.0 110.699 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.557 HG23 ' HB2' ' A' ' 42' ' ' ASP . 51.6 p -98.54 121.55 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 0.0 110.739 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.9 146.56 27.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.027 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.532 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 8.5 m -80.28 159.97 25.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.489 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -51.2 -53.04 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.998 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.94 -40.11 95.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.473 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.64 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 109.774 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.507 ' O ' ' HG2' ' A' ' 67' ' ' MET . 4.1 t80 -65.75 -46.02 80.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.618 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -60.81 -38.89 86.94 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -55.26 -48.59 73.77 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.253 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.9 ptt? -69.68 -33.36 72.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.923 -177.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 64' ' ' PHE . 54.5 t -58.77 -52.7 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.219 -177.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.41 -38.82 91.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.532 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.54 72.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -79.74 -13.59 59.34 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.327 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.649 ' HE3' ' HG2' ' B' ' 76' ' ' GLU . 36.0 tttm -79.25 -18.84 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.495 0.664 . . . . 0.0 109.825 174.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.34 18.56 8.81 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.472 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.532 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 10.2 t30 -155.14 161.91 41.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.532 ' HB3' ' O ' ' A' ' 74' ' ' ASN . 27.7 tp 76.76 -60.2 0.47 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.421 0.45 . . . . 0.0 110.832 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CD ' ' HZ1' ' B' ' 72' ' ' LYS . 23.8 tt0 -67.37 101.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.252 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -83.27 83.51 7.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.025 0.917 . . . . 0.0 109.057 174.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -77.14 70.12 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.796 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -122.96 3.48 9.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.827 172.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -83.39 142.29 31.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.369 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -101.71 119.96 39.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.917 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.476 -0.774 . . . . 0.0 110.042 -178.307 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -121.61 174.11 7.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.664 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.93 159.8 15.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.255 0.55 . . . . 0.0 111.937 -173.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.8 mmt -109.22 179.84 4.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.41 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.44 -61.07 1.58 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 0.0 110.082 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -111.66 -176.91 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.103 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -92.18 107.14 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -72.56 118.08 15.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.877 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -112.05 147.81 35.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -146.7 131.96 18.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.928 0.394 . . . . 0.0 111.107 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.511 HG13 HG23 ' B' ' 32' ' ' VAL . 4.0 mp -88.59 99.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -76.25 -59.13 2.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.078 -173.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.55 125.14 28.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -92.78 126.31 37.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -70.04 -68.29 0.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.335 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.44 ' O ' ' HG3' ' B' ' 28' ' ' GLU . 0.6 OUTLIER -155.52 152.37 28.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.193 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m -87.85 125.47 34.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.266 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.53 -55.46 5.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.922 0.391 . . . . 0.0 110.482 -177.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -169.13 179.79 3.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.528 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.26 109.44 11.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.488 ' N ' HD21 ' B' ' 21' ' ' ASN . 0.8 OUTLIER -95.99 135.6 37.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.427 -168.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 63.23 13.03 6.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.88 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? 56.23 71.56 0.55 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.229 0.537 . . . . 0.0 110.709 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.1 -34.86 0.49 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.08 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -107.56 103.21 12.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.146 0.498 . . . . 0.0 110.324 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.42 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 14.8 m -86.95 138.69 31.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -175.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.566 ' HD3' ' HB1' ' B' ' 45' ' ' ALA . 0.9 OUTLIER -106.05 115.64 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 44.0 tt0 -145.38 153.71 41.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.133 0.492 . . . . 0.0 111.698 -175.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.429 HG12 HG21 ' B' ' 43' ' ' ILE . 53.1 mt -108.74 114.8 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -136.93 156.6 48.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 0.0 111.004 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 20.4 mtm180 -90.75 126.44 36.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.788 0.328 . . . . 0.0 111.014 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.511 HG23 HG13 ' B' ' 11' ' ' ILE . 39.6 t -121.45 133.05 69.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.496 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -109.99 148.16 32.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.5 111.69 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.262 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 p30 49.1 24.2 0.88 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.566 1.147 . . . . 0.0 112.551 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.59 -161.08 20.11 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . 66.83 161.94 0.13 Allowed Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 122.944 0.497 . . . . 0.0 111.5 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.89 127.78 22.42 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.354 2.036 . . . . 0.0 111.786 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 125.27 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.014 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 90.4 mttt -87.61 165.87 15.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.407 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -85.59 114.56 22.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' B' ' 58' ' ' THR . 36.0 t70 -111.26 116.88 31.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.084 0.468 . . . . 0.0 110.831 -176.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.429 HG21 HG12 ' B' ' 29' ' ' ILE . 51.2 mt -91.12 105.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -146.26 149.03 33.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.546 0.689 . . . . 0.0 112.435 -168.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.566 ' HB1' ' HD3' ' B' ' 27' ' ' LYS . . . -98.98 124.95 44.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.509 173.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . 0.42 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 32.4 p-90 -108.56 146.11 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 110.9 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 27.7 t -130.22 159.48 70.19 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.986 -170.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.81 119.32 6.43 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.045 1.83 . . . . 0.0 109.621 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -66.19 127.43 32.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.859 0.837 . . . . 0.0 111.852 -168.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.53 ' HB3' ' HE2' ' B' ' 52' ' ' LYS . 5.6 t60 -155.33 65.13 0.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 173.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.8 p 48.46 45.5 20.81 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.456 -172.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.53 ' HE2' ' HB3' ' B' ' 50' ' ' HIS . 68.3 mttm -113.32 145.06 41.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.945 -176.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 47.0 tpp -109.29 114.58 28.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.93 154.76 34.19 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.938 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -92.54 147.08 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.843 0.354 . . . . 0.0 110.757 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.35 168.64 38.02 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.827 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.722 HD13 HG23 ' A' ' 43' ' ' ILE . 17.9 tt -143.9 136.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.094 0.474 . . . . 0.0 110.806 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' B' ' 42' ' ' ASP . 4.9 m -96.97 139.93 32.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -124.42 138.67 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.6 m -82.94 170.6 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -55.58 -46.52 77.24 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.8 -55.75 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.706 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -58.76 -39.46 81.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.758 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.497 ' O ' HG23 ' B' ' 68' ' ' VAL . 14.8 t80 -64.4 -53.09 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.195 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -30.28 68.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.306 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.9 m -59.93 -51.04 71.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.682 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.614 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 13.3 ptt? -66.73 -36.37 82.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.947 0.404 . . . . 0.0 110.116 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 64' ' ' PHE . 76.6 t -61.36 -40.31 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.139 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.05 -49.49 65.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.964 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.422 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -61.81 -52.48 64.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.186 -174.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 27.6 m-85 -68.48 -31.47 70.77 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.622 -177.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.592 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 80.9 tttt -54.49 -43.04 71.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.184 0.516 . . . . 0.0 110.673 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.36 26.12 25.59 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -136.01 -62.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.791 0.296 . . . . 0.0 111.427 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.463 HD22 HG22 ' A' ' 68' ' ' VAL . 14.7 tp -87.73 -0.19 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.003 0.43 . . . . 0.0 111.121 -171.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.649 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 8.2 tp10 -74.46 112.05 10.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 170.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -153.62 80.56 1.16 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.034 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -58.88 109.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.412 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -81.88 -38.71 24.97 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -129.59 141.58 50.93 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.887 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -69.51 -15.62 63.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.123 0.487 . . . . 0.0 110.898 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.925 176.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 5' ' ' ALA . 24.9 ttt . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 121.005 0.431 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -137.51 14.16 2.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.953 172.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.725 ' HA ' ' HE2' ' A' ' 3' ' ' LYS . 7.8 mmpt? -110.46 -172.42 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.499 173.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.418 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.6 mpp? -62.25 -53.31 57.02 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.363 0.415 . . . . 0.0 111.541 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' HB3' ' HE3' ' A' ' 1' ' ' MET . . . 65.68 -77.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.829 0.706 . . . . 0.0 111.092 -177.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 56.86 89.36 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.624 0.577 . . . . 0.0 111.809 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.472 ' HD2' HD22 ' A' ' 35' ' ' ASN . 69.6 m-85 -132.12 -75.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -114.23 153.79 29.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.039 0.447 . . . . 0.0 111.436 -172.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' SER . 38.0 p90 -145.0 139.37 27.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.646 178.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -137.22 152.74 50.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.64 0.257 . . . . 0.0 110.649 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.31 117.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.503 ' HG3' ' HB3' ' A' ' 39' ' ' ALA . 19.4 mm-40 -86.33 -44.32 12.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.355 0.598 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -154.36 145.07 22.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.596 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -103.29 123.22 46.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 29' ' ' ILE . 82.1 mt -77.07 -66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.496 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' B' ' 67' ' ' MET . 0.5 OUTLIER -160.85 141.19 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.508 . . . . 0.0 110.503 176.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.596 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 15.4 m -88.97 125.95 35.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.66 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.526 HD11 ' HD2' ' A' ' 27' ' ' LYS . 62.8 mt -79.53 -66.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.755 0.312 . . . . 0.0 110.673 -176.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.506 ' HG ' ' HG2' ' B' ' 63' ' ' GLU . 6.6 m -140.8 150.78 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.943 0.401 . . . . 0.0 110.97 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.37 112.0 24.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.179 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -76.07 127.82 33.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.91 -14.17 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 111.278 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -70.06 -13.2 62.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' SER . . . 106.92 32.22 3.62 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.832 176.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.425 ' HD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 m0 -135.73 117.5 15.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.668 0.271 . . . . 0.0 110.787 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -94.49 138.31 32.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.588 0.232 . . . . 0.0 110.521 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.526 ' HD2' HD11 ' A' ' 18' ' ' LEU . 3.9 tmmm? -113.61 115.55 28.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 19.6 pt-20 -143.18 176.07 9.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 43' ' ' ILE . 38.2 mt -119.4 118.48 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.43 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.47 164.51 22.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.023 0.439 . . . . 0.0 111.276 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.579 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 74.4 mtp180 -98.25 118.11 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 46.8 t -115.77 133.63 61.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 7.1 p -94.15 114.21 26.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.26 117.56 31.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.083 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.472 HD22 ' HD2' ' A' ' 7' ' ' PHE . 10.1 m120 61.78 25.65 15.46 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.89 -123.06 1.19 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.896 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.641 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -130.55 46.13 2.09 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 177.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.641 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 34.4 Cg_endo -98.87 86.85 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.468 2.112 . . . . 0.0 110.885 169.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.503 ' HB3' ' HG3' ' A' ' 12' ' ' GLU . . . -71.98 94.08 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.668 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 94.6 mttt -92.75 179.54 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.019 177.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -109.35 115.48 30.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 58' ' ' THR . 18.2 t70 -116.61 128.85 55.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 -176.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.677 HG22 HD12 ' B' ' 57' ' ' ILE . 24.8 mt -105.67 111.31 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.507 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 11.2 ttm180 -147.69 155.08 41.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.106 0.479 . . . . 0.0 111.908 -170.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.39 120.94 43.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.909 172.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.475 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 5.8 p-90 -157.59 156.36 31.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.64 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.832 ' HB2' ' HD3' ' A' ' 48' ' ' PRO . 70.5 m -161.61 -62.22 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.515 0 O-C-N 123.419 0.449 . . . . 0.0 111.156 171.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.832 ' HD3' ' HB2' ' A' ' 47' ' ' SER . 4.9 Cg_exo -75.22 -178.34 4.14 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.402 2.068 . . . . 0.0 112.634 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.1 -49.36 6.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.462 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -74.3 119.04 17.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -169.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.5 p 49.34 97.53 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 170.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HE3' ' HB2' ' A' ' 46' ' ' TRP . 37.4 mtmm -127.18 117.2 21.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.158 0.504 . . . . 0.0 111.585 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 59.6 mtm -152.7 128.62 10.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.595 -1.184 . . . . 0.0 108.471 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.66 80.57 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.56 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.894 ' HG3' ' HA ' ' B' ' 57' ' ' ILE . 1.0 OUTLIER 69.84 96.85 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.625 0.726 . . . . 0.0 111.969 177.76 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.507 ' HA3' ' HG3' ' A' ' 44' ' ' ARG . . . -166.91 118.71 0.81 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.8 tt -145.14 143.81 21.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.164 0.507 . . . . 0.0 111.399 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 3.0 m -92.79 142.75 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.139 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.0 mt -116.0 140.91 48.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -79.71 163.09 24.79 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -57.09 -46.2 82.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.23 -45.96 89.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.639 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.29 -39.47 94.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 110.287 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.612 ' O ' HG21 ' A' ' 68' ' ' VAL . 2.1 t80 -64.08 -51.92 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.456 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.22 -35.08 71.15 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 111.261 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -59.24 -50.52 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -70.57 -24.62 62.8 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 -178.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.612 HG21 ' O ' ' A' ' 64' ' ' PHE . 75.8 t -57.65 -57.09 11.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.873 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 20.2 t70 -61.91 -46.18 90.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.993 0.425 . . . . 0.0 111.018 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB2' HD12 ' B' ' 16' ' ' LEU . . . -53.76 -56.15 20.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.157 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' HB2' ' HE3' ' B' ' 72' ' ' LYS . 50.7 m-85 -83.62 -1.25 53.49 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.959 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.873 ' HE2' ' HA ' ' A' ' 69' ' ' ASP . 22.4 ttpt -77.19 -24.52 51.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.55 19.56 26.17 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.911 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 43.1 t-20 -148.53 122.5 9.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.52 HD23 HG23 ' B' ' 68' ' ' VAL . 59.6 tp 74.37 -67.97 0.23 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.701 0.626 . . . . 0.0 111.015 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 61.58 -87.31 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 111.921 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 176.03 -54.08 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -104.03 -61.58 1.42 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.187 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 t60 44.16 -94.86 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.025 0.53 . . . . 0.0 110.192 -172.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -142.91 86.6 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 170.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -80.37 158.76 25.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.727 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.686 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtm . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.929 0.395 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -79.35 -75.59 0.24 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.175 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -154.93 -169.61 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.94 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 70.0 mtm -96.17 -167.06 1.52 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.54 87.54 0.12 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.691 0.619 . . . . 0.0 109.719 -170.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.73 -40.67 97.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.03 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.47 ' HA ' ' HA ' ' B' ' 35' ' ' ASN . 45.0 t80 55.46 85.29 0.07 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 122.229 1.014 . . . . 0.0 111.064 -177.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -124.43 162.04 24.74 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.591 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -108.34 129.94 55.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.158 0.504 . . . . 0.0 110.514 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.525 ' HB2' ' HB2' ' B' ' 33' ' ' SER . 6.8 mm-40 -112.93 122.51 47.84 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.4 mm -90.58 90.36 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.43 -35.87 22.75 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.274 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -158.75 142.59 15.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.065 0.46 . . . . 0.0 111.333 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.459 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.3 OUTLIER -106.68 142.89 35.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.506 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.608 HD22 HG23 ' B' ' 29' ' ' ILE . 2.4 mm? -72.4 -54.08 10.4 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 1.6 pt? -164.5 159.17 19.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.902 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.578 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 32.0 m -99.98 121.67 41.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.46 175.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.04 -63.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 p 178.87 167.77 0.92 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.734 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 14.0 pt-20 -110.9 138.94 46.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -110.82 148.93 31.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.669 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 64.93 9.05 5.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.739 0.65 . . . . 0.0 111.529 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 tptm 55.35 95.8 0.02 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 110.538 -173.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.8 -48.25 0.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.059 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -81.84 88.04 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.163 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 22.0 m -86.73 137.97 32.01 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.979 -178.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.424 ' HB3' ' HE2' ' B' ' 27' ' ' LYS . 35.8 ttpt -127.67 127.91 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.578 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 17.2 pt-20 -156.69 -176.91 6.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 110.966 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.665 HG12 HG12 ' B' ' 43' ' ' ILE . 53.4 mt -120.09 130.27 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.433 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.459 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.1 OUTLIER -141.6 176.22 9.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.513 0.197 . . . . 0.0 111.084 -175.345 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.409 ' HB3' ' CB ' ' B' ' 39' ' ' ALA . 46.6 mtm105 -111.49 117.85 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.263 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 t -107.45 121.89 60.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.613 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' B' ' 10' ' ' GLU . 0.8 OUTLIER -84.2 110.03 18.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -93.33 137.32 32.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.882 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' B' ' 7' ' ' PHE . 26.3 t-20 72.32 -68.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.878 0.736 . . . . 0.0 111.233 176.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.12 48.28 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . -140.75 172.97 5.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -174.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 2.1 Cg_endo -43.22 143.34 2.18 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 123.2 2.6 . . . . 0.0 112.553 173.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -77.06 140.83 40.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.803 -173.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.646 ' HZ3' ' HB3' ' B' ' 40' ' ' LYS . 9.8 mtpm? -101.13 154.94 18.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.135 176.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -74.91 125.47 28.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -131.57 133.11 44.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.91 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.665 HG12 HG12 ' B' ' 29' ' ' ILE . 56.2 mt -108.55 114.82 47.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -144.24 169.36 18.04 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.882 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.59 150.04 31.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.746 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -107.32 125.17 50.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -87.43 141.49 32.45 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.855 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -58.33 117.16 3.83 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.828 2.352 . . . . 0.0 110.921 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 62.86 -88.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.703 0.627 . . . . 0.0 109.312 -171.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.444 ' HB3' ' H ' ' B' ' 51' ' ' THR . 0.0 OUTLIER 177.26 -132.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.322 0.649 . . . . 0.0 109.467 171.549 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.444 ' H ' ' HB3' ' B' ' 50' ' ' HIS . 43.2 p 50.74 25.95 2.33 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.321 0.581 . . . . 0.0 111.842 -175.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -127.98 -175.02 3.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.036 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 58.2 mtt -87.72 -75.55 0.41 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.396 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.35 -98.81 2.31 Favored Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 65.15 -169.07 0.2 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.339 0.59 . . . . 0.0 112.417 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.61 -146.88 12.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.894 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 18.7 tt -143.1 138.66 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.15 0.5 . . . . 0.0 111.244 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.71 140.63 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.305 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.0 mt -123.76 138.11 54.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.292 0.568 . . . . 0.0 110.407 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.747 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 20.3 m -83.54 171.46 13.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.101 175.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.98 -55.66 32.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.6 0.238 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.35 -35.06 79.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.95 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.747 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 30.3 mt-10 -62.79 -50.3 71.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.195 0.521 . . . . 0.0 109.962 177.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.548 ' O ' HG21 ' B' ' 68' ' ' VAL . 31.9 t80 -59.8 -46.82 88.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -53.27 -46.22 69.16 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 69.1 m -56.88 -48.13 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.511 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -70.81 -34.72 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.553 -175.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.775 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 69.0 t -59.1 -64.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.264 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.84 -37.09 80.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 0.0 111.17 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.48 57.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.471 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.477 ' CD2' ' HE1' ' A' ' 67' ' ' MET . 27.1 m-85 -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.775 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 34.0 mmtt -69.66 -25.46 63.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.87 30.7 8.43 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.745 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -150.89 -59.82 0.18 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.84 0.32 . . . . 0.0 111.117 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.457 HD21 HG23 ' A' ' 68' ' ' VAL . 29.6 tp -78.17 -19.25 54.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.369 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -86.76 99.13 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -130.38 -4.16 4.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.67 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 m80 62.17 -84.13 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.17 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -152.15 -62.19 0.17 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -145.49 -164.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -73.24 -80.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 111.159 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.075 -178.223 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -92.06 99.82 12.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.607 0.717 . . . . 0.0 109.999 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -135.44 -49.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.159 -174.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ttt -82.34 -50.02 9.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.104 -171.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.64 24.12 12.92 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.095 0.474 . . . . 0.0 110.245 -174.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.77 -78.54 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.226 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -90.85 106.34 18.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.378 0.608 . . . . 0.0 111.318 -174.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -98.44 148.8 23.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -152.76 134.29 14.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.0 0.429 . . . . 0.0 111.026 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -140.23 153.43 46.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.994 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.526 HG12 HG21 ' A' ' 32' ' ' VAL . 51.8 mt -92.98 115.94 32.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.565 ' OE2' ' HB2' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -91.42 -23.5 20.01 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.654 -175.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -157.34 141.93 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 111.113 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -101.22 116.39 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD11 HG23 ' A' ' 29' ' ' ILE . 92.4 mt -65.66 -58.98 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -176.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.8 153.92 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 m -102.14 123.29 45.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.97 -57.3 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.035 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 p -167.79 -179.49 4.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.29 0.567 . . . . 0.0 112.164 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -122.48 116.01 23.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.558 173.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -106.64 152.32 23.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.414 0.626 . . . . 0.0 112.495 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 61.43 -89.29 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.317 168.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -131.31 26.8 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 111.417 -173.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.64 3.76 23.55 Favored Glycine 0 CA--C 1.506 -0.494 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.743 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -64.48 104.61 0.81 Allowed 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 1.6 p -85.68 136.4 33.38 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.421 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -120.0 116.13 25.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.962 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -141.83 175.89 9.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.06 0.457 . . . . 0.0 111.147 -173.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 15' ' ' LEU . 54.5 mt -125.19 114.9 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.909 176.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.68 168.0 18.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 17.3 mtm180 -108.72 124.44 50.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 11' ' ' ILE . 50.4 t -109.34 120.78 61.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -176.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 8.1 p -82.55 109.28 16.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.93 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.578 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 94.3 m-85 -87.77 124.24 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.843 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 p30 48.52 22.64 0.51 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.417 1.087 . . . . 0.0 113.169 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.54 -93.75 0.54 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.515 173.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.533 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -65.72 -55.75 21.69 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' O ' ' A' ' 34' ' ' PHE . 16.0 Cg_exo -67.54 95.15 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.483 2.122 . . . . 0.0 113.287 -173.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -97.58 98.83 10.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -99.71 174.5 6.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -88.38 136.76 32.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -138.46 121.39 16.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.668 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.495 HG12 HG12 ' A' ' 29' ' ' ILE . 56.3 mt -103.77 120.68 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -140.64 135.91 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -112.83 106.92 15.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.131 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -114.41 147.12 39.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.167 0.508 . . . . 0.0 112.168 -172.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 t -64.49 138.87 97.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.729 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.25 87.77 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.388 2.725 . . . . 0.0 113.578 -173.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t70 55.74 34.3 23.1 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.491 173.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -149.17 129.19 13.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.4 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -56.44 121.5 9.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.683 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -158.64 -80.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.275 174.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.9 mtt -147.99 162.39 39.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.086 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -140.34 73.21 0.4 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -67.25 116.64 8.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.929 0.395 . . . . 0.0 110.671 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.77 -175.2 33.56 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.415 HD11 HG21 ' B' ' 43' ' ' ILE . 20.9 tt -149.54 139.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -85.77 129.72 34.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.137 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.18 168.14 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.19 0.519 . . . . 0.0 111.313 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.0 m -127.18 178.33 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.197 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.25 -42.2 99.15 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 111.355 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.02 -49.93 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.5 0.667 . . . . 0.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -61.16 -45.1 96.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.031 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.643 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -58.86 -49.7 76.75 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.007 -179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -58.79 -42.49 89.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.31 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -57.7 -47.05 83.45 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.448 0.468 . . . . 0.0 110.634 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.587 ' HE1' ' HA ' ' A' ' 64' ' ' PHE . 39.7 mtm -58.5 -36.97 74.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.015 0.436 . . . . 0.0 110.652 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 64' ' ' PHE . 59.3 t -61.57 -56.52 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.483 -176.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.38 -43.42 66.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.089 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' CB ' HD22 ' B' ' 16' ' ' LEU . . . -63.06 -49.56 74.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.595 -176.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -74.77 -15.28 60.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 111.032 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 68' ' ' VAL . 81.1 tttt -67.42 -33.17 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.88 -16.61 18.85 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.197 -178.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.489 ' C ' HD21 ' A' ' 74' ' ' ASN . 0.2 OUTLIER -93.65 -53.31 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.139 0.469 . . . . 0.0 111.521 -176.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.521 HD23 ' HD2' ' B' ' 64' ' ' PHE . 21.2 tp -95.67 126.9 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 0.0 111.325 -172.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.572 ' HB2' ' NE2' ' B' ' 65' ' ' GLN . 4.3 tp10 71.2 -6.49 1.32 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.613 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -83.69 57.27 4.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 122.114 0.959 . . . . 0.0 108.501 172.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -156.12 142.42 18.38 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -61.09 102.59 0.22 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -65.87 -14.71 61.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.472 -173.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 73.92 -5.59 2.0 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.629 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 . . . . . 0 C--O 1.248 1.015 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.764 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.815 0.341 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -127.87 123.81 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.17 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 67.82 19.92 9.47 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 123.723 0.639 . . . . 0.0 111.799 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.1 ttt 57.94 98.07 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 O-C-N 123.759 0.662 . . . . 0.0 111.76 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.12 -18.84 38.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.976 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 61.81 86.94 0.1 Allowed 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.721 0.638 . . . . 0.0 110.597 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 67.12 97.94 0.05 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.675 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -98.74 119.44 37.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.606 174.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' B' ' 33' ' ' SER . 22.4 p90 -109.64 126.86 54.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.42 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -151.51 153.14 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.88 128.05 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.881 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.719 ' HG3' ' HG ' ' B' ' 33' ' ' SER . 44.2 mm-40 -105.57 -34.51 7.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.761 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -153.07 139.03 18.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.665 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -112.36 133.86 54.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.531 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.24 -53.95 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.623 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.547 HD11 HD22 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -131.27 99.12 4.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.752 -170.428 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -81.36 97.57 7.77 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.547 HD22 HD11 ' B' ' 16' ' ' LEU . 90.4 mt -67.32 -68.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.076 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p 174.86 -174.95 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.81 0.693 . . . . 0.0 109.211 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.532 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 11.8 pt-20 -108.66 139.56 43.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.556 HD21 ' HG3' ' B' ' 22' ' ' GLU . 2.6 p-10 -116.15 156.46 26.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.151 0.5 . . . . 0.0 111.066 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.556 ' HG3' HD21 ' B' ' 21' ' ' ASN . 30.3 mt-10 59.01 20.09 7.88 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.558 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 62.16 98.83 0.03 OUTLIER 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.943 0.777 . . . . 0.0 111.451 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 -44.26 1.51 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.199 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -84.0 103.55 13.33 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.443 0.621 . . . . 0.0 110.412 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 4.8 m -86.54 138.29 31.84 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.039 -174.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.885 ' HZ3' ' HB3' ' B' ' 27' ' ' LYS . 6.1 ttpm? -128.65 120.67 26.98 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.484 -173.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -142.97 158.42 43.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.8 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.65 HG12 HG12 ' B' ' 43' ' ' ILE . 43.9 mt -104.99 109.97 29.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -131.47 -176.9 4.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 74.6 mtp180 -110.94 116.1 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.53 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -104.94 123.1 58.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.719 ' HG ' ' HG3' ' B' ' 12' ' ' GLU . 49.7 m -84.81 131.78 34.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.152 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.44 101.04 10.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.173 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 70.23 -73.6 0.09 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.254 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.18 -82.95 1.58 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.576 -170.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.96 ' H ' ' HD2' ' B' ' 38' ' ' PRO . . . -132.44 -46.48 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -172.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.96 ' HD2' ' H ' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -48.97 112.23 0.61 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 123.083 2.522 . . . . 0.0 113.784 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -106.46 98.52 8.18 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.693 174.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 15.7 tptt -86.26 166.27 15.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.746 -173.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -90.37 129.94 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.486 ' CG ' ' HE ' ' B' ' 44' ' ' ARG . 7.9 t0 -142.37 139.77 31.83 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.461 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.65 HG12 HG12 ' B' ' 29' ' ' ILE . 41.9 mt -95.84 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.486 ' HE ' ' CG ' ' B' ' 42' ' ' ASP . 7.6 mmt180 -113.61 139.68 48.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.186 0.517 . . . . 0.0 112.297 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.402 ' O ' ' HA3' ' B' ' 54' ' ' GLY . . . -111.47 107.46 16.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.828 170.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -107.96 151.29 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.406 0.622 . . . . 0.0 111.433 -174.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p -82.4 151.94 66.49 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.211 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.23 -29.72 25.92 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.502 2.135 . . . . 0.0 111.386 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -81.06 -20.34 41.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.38 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 73.73 -13.93 0.7 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.934 0.893 . . . . 0.0 111.989 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 21.4 p -86.02 -28.13 24.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.518 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -75.72 131.14 39.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 65.3 mtt -75.14 131.98 40.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.847 0.356 . . . . 0.0 110.384 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' B' ' 45' ' ' ALA . . . -106.33 158.17 15.57 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.905 -0.665 . . . . 0.0 111.919 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -94.23 164.41 13.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.753 0.311 . . . . 0.0 110.671 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.4 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -167.91 -179.2 40.37 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 43' ' ' ILE . 15.4 tt -147.7 127.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 0.0 110.699 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.0 m -86.86 135.81 33.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.568 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 81.2 mt -127.72 140.57 51.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -91.16 162.21 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -56.86 -38.28 72.5 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.36 -50.65 72.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.23 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -67.37 -35.14 78.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.966 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.559 ' O ' HG22 ' B' ' 68' ' ' VAL . 2.5 t80 -59.38 -50.55 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.408 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . 0.572 ' NE2' ' HB2' ' A' ' 76' ' ' GLU . 6.7 tp-100 -65.82 -30.83 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.775 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.6 m -55.0 -47.87 74.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.643 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 20.7 ptt? -71.94 -37.73 69.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.843 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.666 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 95.5 t -58.67 -57.99 8.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.764 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.59 -46.84 83.53 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 120.744 0.307 . . . . 0.0 111.618 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -41.42 86.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 0.0 111.403 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.537 ' HB3' HG21 ' A' ' 68' ' ' VAL . 20.7 m-30 -76.2 -15.05 60.12 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 28.1 mmtm -71.44 -32.43 68.33 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 171.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.21 -41.3 6.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.111 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -75.35 -61.27 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.817 0.309 . . . . 0.0 111.507 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.459 ' HB2' HG22 ' A' ' 68' ' ' VAL . 5.6 mp -88.69 162.72 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 69.16 -67.45 0.22 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.928 0.768 . . . . 0.0 110.044 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -51.38 -28.51 12.78 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.737 0.815 . . . . 0.0 111.611 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -73.66 -30.68 63.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -175.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -136.02 -2.68 2.3 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -170.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -63.99 -42.39 97.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.336 -0.228 . . . . 0.0 111.508 -173.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 59.29 -97.09 0.07 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.471 0.482 . . . . 0.0 111.405 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.839 -0.601 . . . . 0.0 109.717 -178.356 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -157.66 119.35 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.208 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -89.85 35.57 0.84 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.093 0.473 . . . . 0.0 110.05 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 63.3 mtt 62.5 -167.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.597 -176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.1 -166.02 2.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 67.53 13.29 9.25 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.583 0.552 . . . . 0.0 111.349 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 69.95 131.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.535 0.734 . . . . 0.0 112.095 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 35' ' ' ASN . 19.1 p -101.15 123.82 45.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.454 173.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -109.1 120.29 42.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.468 0.652 . . . . 0.0 111.042 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.697 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 2.8 mp0 -105.14 111.58 24.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.16 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -88.62 103.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -99.46 -32.64 11.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.271 -169.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 10.7 tp10 -143.82 141.14 30.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.625 0.25 . . . . 0.0 111.095 -172.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -107.26 99.04 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.65 -66.88 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 111.743 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.506 HD13 ' HB1' ' B' ' 70' ' ' ALA . 0.9 OUTLIER -134.38 114.63 13.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -171.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.6 m -87.24 107.12 18.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD21 HD21 ' A' ' 16' ' ' LEU . 91.7 mt -71.43 -74.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.631 -177.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -165.66 162.5 18.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.912 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -105.57 141.78 36.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.227 0.536 . . . . 0.0 109.967 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -105.97 131.24 53.51 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.021 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 60.88 21.0 11.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.235 174.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.42 95.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.502 0.501 . . . . 0.0 111.222 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.47 -43.36 1.34 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.034 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.472 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 61.2 m95 -84.37 91.82 7.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.084 0.442 . . . . 0.0 110.056 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.494 ' HB ' ' HD1' ' A' ' 46' ' ' TRP . 17.1 m -85.89 137.19 32.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.385 -172.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -121.78 116.03 23.74 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.164 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.14 163.9 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.391 0.615 . . . . 0.0 111.435 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.592 HG12 HG12 ' A' ' 43' ' ' ILE . 58.3 mt -107.08 117.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.211 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -133.11 179.73 6.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 22.1 mtp85 -113.99 119.49 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 -177.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.79 131.4 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.963 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.697 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 23.3 t -95.84 146.93 24.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -123.21 112.27 17.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.791 0.329 . . . . 0.0 110.713 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' HA ' ' OG1' ' A' ' 8' ' ' THR . 8.4 m120 64.53 22.96 12.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.514 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.8 81.15 0.77 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.198 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -152.84 175.08 3.16 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.494 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.2 Cg_exo -50.22 126.36 17.17 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.87 1.713 . . . . 0.0 111.199 171.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 112.41 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.038 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -82.71 172.0 13.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.656 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.458 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 30.2 m-85 -101.98 114.86 29.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.137 -173.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -117.3 133.87 55.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.096 0.474 . . . . 0.0 110.605 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.592 HG12 HG12 ' A' ' 29' ' ' ILE . 39.4 mt -113.65 104.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.545 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.56 ' HB3' ' HA3' ' A' ' 56' ' ' GLY . 18.7 ptp180 -141.9 176.6 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 112.005 -175.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.19 152.88 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.494 ' HD1' ' HB ' ' A' ' 26' ' ' THR . 66.7 m95 -108.13 130.96 55.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 m -87.38 129.24 52.1 Favored Pre-proline 0 C--O 1.234 0.25 0 O-C-N 123.665 0.603 . . . . 0.0 110.515 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.426 ' HG2' ' H ' ' A' ' 49' ' ' ASP . 65.6 Cg_endo -78.47 -63.48 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.463 2.109 . . . . 0.0 112.428 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' H ' ' HG2' ' A' ' 48' ' ' PRO . 10.0 p-10 -105.37 101.84 11.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.037 0.446 . . . . 0.0 110.893 -178.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 67.8 117.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.689 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.6 m -61.08 102.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.568 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.38 -48.89 9.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.044 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.8 ttt -163.36 115.29 1.47 Allowed 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.219 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.93 74.49 2.5 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.593 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -83.37 134.98 34.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.365 0.603 . . . . 0.0 111.484 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.56 ' HA3' ' HB3' ' A' ' 44' ' ' ARG . . . -179.06 153.53 12.57 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.574 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 13.9 tt -120.47 132.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.219 0.533 . . . . 0.0 111.118 -174.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -95.76 130.29 42.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.435 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.26 147.56 41.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.0 p -82.71 173.68 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.189 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.458 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 7.9 t30 -60.11 -43.48 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -56.49 -53.92 51.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.623 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.598 ' HG2' ' HG ' ' B' ' 19' ' ' SER . 36.5 mt-10 -60.89 -44.54 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.443 ' O ' HG21 ' A' ' 68' ' ' VAL . 18.0 t80 -64.76 -48.34 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.265 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -65.33 -37.69 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -54.26 -53.21 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.436 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.431 ' O ' ' HD2' ' A' ' 71' ' ' PHE . 20.6 ptt? -64.28 -37.47 87.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.657 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.496 HG23 HD23 ' B' ' 75' ' ' LEU . 56.0 t -58.83 -50.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.044 -178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 12.7 t70 -74.98 -40.81 60.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.043 0.449 . . . . 0.0 110.972 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.46 96.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.277 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.524 ' CE2' HD12 ' B' ' 29' ' ' ILE . 52.6 m-85 -78.16 -32.31 50.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.661 ' HB2' ' HG3' ' B' ' 72' ' ' LYS . 0.0 OUTLIER -65.89 -24.78 66.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.345 179.607 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.68 11.49 72.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.971 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.455 ' C ' HD21 ' A' ' 74' ' ' ASN . 0.2 OUTLIER -140.06 -50.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.528 0.664 . . . . 0.0 111.516 -176.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 75' ' ' LEU . 35.7 tp -120.11 21.18 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.591 0.234 . . . . 0.0 111.585 -171.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.679 ' HB2' ' HE2' ' B' ' 72' ' ' LYS . 12.7 pt-20 -60.95 -43.26 98.95 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.017 -0.427 . . . . 0.0 110.765 -178.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 71.8 t60 -177.06 54.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -63.96 129.88 41.81 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -132.83 -69.64 0.56 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.606 0.241 . . . . 0.0 111.518 -173.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -128.24 126.24 40.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -131.23 132.04 44.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.716 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.3 p80 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.465 178.185 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' B' ' 3' ' ' LYS . 24.3 ttmm 66.13 -86.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.792 0.682 . . . . 0.0 110.583 -175.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' B' ' 2' ' ' LYS . 42.2 tttp 169.26 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.082 0.553 . . . . 0.0 110.066 -178.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.6 mmm -76.66 134.78 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.166 -176.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.47 73.8 0.98 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.047 173.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 61.26 -168.49 0.18 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.253 -171.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.477 ' HA ' ' OD1' ' B' ' 35' ' ' ASN . 93.2 m-85 -99.13 111.41 23.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.167 0.508 . . . . 0.0 110.574 173.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p -108.18 126.28 52.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.46 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' B' ' 33' ' ' SER . 32.9 p90 -106.82 123.43 48.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -117.37 145.86 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.734 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.0 mt -88.8 99.11 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -86.25 -32.22 21.25 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.27 137.6 16.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.153 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -105.45 108.23 19.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.452 HD13 HG21 ' B' ' 29' ' ' ILE . 94.5 mt -72.94 -71.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.398 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -165.33 150.03 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.695 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.621 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 56.1 m -91.28 134.66 34.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.44 -53.33 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.598 ' HG ' ' HG2' ' A' ' 63' ' ' GLU . 83.4 p -170.45 157.99 6.24 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.473 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -127.05 103.29 7.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 171.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -116.8 176.74 4.98 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.355 0.597 . . . . 0.0 112.427 -171.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 70.69 -80.22 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.397 175.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -158.06 22.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.76 -0.08 5.75 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.961 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -75.06 96.81 3.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.872 0.844 . . . . 0.0 109.708 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' B' ' 45' ' ' ALA . 5.4 m -92.81 138.81 31.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.908 -172.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.434 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -119.33 120.77 37.91 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 174.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.621 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 11.5 pt-20 -155.56 171.42 19.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 111.162 178.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.753 HG12 HG12 ' B' ' 43' ' ' ILE . 47.5 mt -113.56 132.83 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.537 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.436 ' N ' HD21 ' B' ' 30' ' ' ASN . 0.1 OUTLIER -141.75 175.16 9.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -174.424 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.0 mtp85 -111.6 105.73 14.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.701 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.97 126.54 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 63.0 p -97.36 147.38 24.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -115.99 108.05 15.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.797 177.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.477 ' OD1' ' HA ' ' B' ' 7' ' ' PHE . 4.2 m-20 62.86 -80.59 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.084 0.865 . . . . 0.0 111.839 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.84 17.07 3.94 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.897 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' B' ' 39' ' ' ALA . . . -71.08 154.23 94.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 C-N-CA 121.986 0.114 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 14.01 0.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.973 2.449 . . . . 0.0 113.215 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . 70.31 132.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.703 0.801 . . . . 0.0 112.314 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 33.4 mmtp -102.22 172.27 6.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.21 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -107.16 114.34 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.486 ' OD1' ' HB2' ' B' ' 44' ' ' ARG . 3.1 p30 -129.21 148.86 51.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 -178.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.753 HG12 HG12 ' B' ' 29' ' ' ILE . 33.2 mt -97.38 106.32 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.727 175.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.486 ' HB2' ' OD1' ' B' ' 42' ' ' ASP . 6.8 ttm180 -123.86 165.92 16.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.049 0.452 . . . . 0.0 111.333 -170.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' B' ' 26' ' ' THR . . . -117.87 132.76 56.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.691 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -108.85 152.52 24.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.825 ' HB3' ' HE2' ' B' ' 52' ' ' LYS . 26.5 t -165.06 154.21 11.22 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.66 -173.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -82.58 -8.03 11.51 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.241 2.628 . . . . 0.0 111.584 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' B' ' 50' ' ' HIS . 22.2 t70 -85.23 -168.69 2.32 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.982 -177.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.457 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 32.4 m170 -118.14 -170.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.469 ' C ' ' H ' ' B' ' 53' ' ' MET . 69.7 p 57.84 -73.22 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.478 1.111 . . . . 0.0 112.673 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.825 ' HE2' ' HB3' ' B' ' 47' ' ' SER . 29.0 mmtp 75.64 -32.38 0.21 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.87 0.868 . . . . 0.0 111.561 175.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' MET . . . . . 0.469 ' H ' ' C ' ' B' ' 51' ' ' THR . 52.3 ttp 71.91 -33.67 0.28 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.198 0.999 . . . . 0.0 110.345 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' B' ' 52' ' ' LYS . . . 70.8 59.28 5.24 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.736 174.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.574 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 14.9 ptpt -82.46 4.03 25.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.784 0.326 . . . . 0.0 110.847 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 135.08 49.53 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.7 tt -120.39 137.47 54.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.101 0.477 . . . . 0.0 111.089 -170.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.405 HG22 ' HB3' ' B' ' 42' ' ' ASP . 12.8 m -93.59 143.89 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.455 -174.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.29 148.05 46.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.792 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.1 p -85.84 169.25 13.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.63 -44.28 81.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 0.0 111.144 -176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -64.32 -47.76 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.636 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.12 -43.69 97.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.305 0.574 . . . . 0.0 110.351 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.514 ' O ' ' HG2' ' B' ' 67' ' ' MET . 23.3 t80 -60.4 -48.25 82.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -55.68 -44.02 76.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.81 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.488 ' HA ' ' OD2' ' B' ' 69' ' ' ASP . 23.4 m -61.73 -42.91 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.238 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 12.9 ptt? -65.37 -33.12 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.01 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 64' ' ' PHE . 85.8 t -67.32 -50.51 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.488 ' OD2' ' HA ' ' B' ' 66' ' ' THR . 1.9 p30 -75.0 -38.42 61.61 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.767 -173.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.506 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -69.68 -40.77 76.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.418 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.41 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 9.9 m-85 -71.24 -30.96 66.96 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.896 177.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.679 ' HE2' ' HB2' ' A' ' 76' ' ' GLU . 6.3 ttmt -58.97 -37.74 77.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.175 0.512 . . . . 0.0 110.112 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.56 18.49 57.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -133.44 -77.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.05 0.425 . . . . 0.0 111.056 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.496 HD23 HG23 ' A' ' 68' ' ' VAL . 54.0 tp -72.33 121.16 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.755 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 71.51 -72.0 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 O-C-N 124.206 0.941 . . . . 0.0 111.224 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 47.82 35.31 4.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.909 0.883 . . . . 0.0 111.608 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 64.91 91.25 0.08 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.29 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 54.3 t60 72.01 96.18 0.07 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.172 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -44.22 -64.27 0.71 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.861 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -135.06 148.22 49.81 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.723 -0.656 . . . . 0.0 110.903 -178.213 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.662 0.268 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 97.4 mttt -68.19 116.09 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.505 -173.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.742 ' HZ1' ' HB2' ' A' ' 3' ' ' LYS . 8.7 mtmp? 69.93 7.29 6.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.353 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.5 ttt -87.11 -53.2 5.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.172 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.35 88.78 2.89 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.994 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -96.84 -5.47 38.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.245 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 40.0 p90 -82.47 130.5 35.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.997 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -118.76 130.3 55.72 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.165 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' SER . 25.6 p90 -120.02 119.86 34.64 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.069 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.52 153.37 48.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.421 -176.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.5 mt -96.39 91.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.237 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -77.54 -45.0 26.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.583 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -139.26 138.3 36.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.345 0.593 . . . . 0.0 111.922 -173.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.36 142.42 27.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.615 171.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 29' ' ' ILE . 95.6 mt -87.02 -54.35 4.38 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' B' ' 67' ' ' MET . 1.1 pt? -166.29 135.26 3.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.983 173.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.532 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 41.0 m -83.75 119.71 25.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.68 -77.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.659 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -165.0 166.91 18.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.134 0.492 . . . . 0.0 110.328 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 33.5 tt0 -92.24 146.29 23.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.312 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -112.43 158.46 19.82 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.5 mp0 -51.96 150.66 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.74 0.65 . . . . 0.0 112.39 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 1.5 mptm? 74.19 5.7 4.68 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.296 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 60.61 1.66 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.043 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -134.67 109.15 8.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 5.4 m -85.42 138.21 32.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 7.1 ttpm? -125.14 125.77 44.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.947 0.403 . . . . 0.0 110.056 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 21.1 pt-20 -148.74 172.53 14.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.957 -175.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.498 HG21 HD11 ' A' ' 15' ' ' LEU . 52.8 mt -112.95 123.49 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.442 ' H ' HD21 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -136.25 175.08 9.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.251 -171.278 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -114.74 124.77 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.592 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.08 130.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.453 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.532 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 46.1 m -95.05 144.59 25.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.166 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.11 98.21 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.573 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' HA ' ' A' ' 7' ' ' PHE . 17.6 m120 54.73 25.48 6.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.325 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -170.42 174.61 44.42 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.783 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.466 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.22 -47.43 20.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 75.2 Cg_exo -48.7 104.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.948 2.432 . . . . 0.0 112.965 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB2' ' OG ' ' A' ' 33' ' ' SER . . . -104.6 121.46 43.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.787 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -97.35 174.58 6.63 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.502 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.512 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 24.4 m-85 -81.71 135.49 35.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.407 -167.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -144.36 134.78 24.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.424 HG21 HD13 ' B' ' 57' ' ' ILE . 56.4 mt -111.6 118.0 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ttp-105 -147.68 150.2 33.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.229 0.538 . . . . 0.0 111.745 -171.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.89 132.98 54.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.335 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -156.84 154.49 29.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.583 0.23 . . . . 0.0 111.147 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.895 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . 19.5 t -175.86 -58.9 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 175.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.895 ' HD3' ' HB3' ' A' ' 47' ' ' SER . 16.3 Cg_exo -71.5 157.36 56.44 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 122.046 1.831 . . . . 0.0 111.701 173.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.47 -29.08 3.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.457 -174.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -49.74 -78.9 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.75 0.656 . . . . 0.0 112.474 -169.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.0 m -152.47 79.47 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.182 0.515 . . . . 0.0 110.386 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -173.32 104.15 0.13 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.468 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.2 mtm -99.38 107.79 20.13 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.487 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.38 155.37 53.27 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.4 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -72.17 131.68 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.159 0.504 . . . . 0.0 111.091 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.85 150.27 21.6 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.6 127.71 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.365 0.602 . . . . 0.0 110.844 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.9 m -97.03 132.66 42.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.35 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.24 146.4 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.974 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.585 ' HB2' ' OE1' ' A' ' 63' ' ' GLU . 14.5 m -86.0 168.99 13.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.512 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 25.0 p-10 -55.33 -41.43 72.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.089 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.91 -58.56 7.46 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.585 ' OE1' ' HB2' ' A' ' 60' ' ' SER . 1.8 mp0 -60.09 -43.94 95.17 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.473 ' O ' ' HG2' ' A' ' 67' ' ' MET . 24.0 t80 -64.7 -45.07 88.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.45 ' OE1' ' HB3' ' B' ' 76' ' ' GLU . 6.2 tp-100 -62.68 -45.01 94.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.248 175.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.7 m -58.53 -47.48 84.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 11.4 ptt? -61.92 -37.37 84.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.329 . . . . 0.0 110.177 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 HD22 ' B' ' 75' ' ' LEU . 29.2 t -65.17 -40.69 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.731 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.94 -50.96 72.08 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.325 0.583 . . . . 0.0 109.744 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.37 94.48 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.431 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -73.7 -26.14 60.57 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 17.0 pttm -85.55 -4.94 59.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.652 173.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.92 -12.63 55.17 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.002 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -144.34 -171.27 3.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 117.555 0.677 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' CD2' HG22 ' B' ' 68' ' ' VAL . 32.3 tp 69.57 -63.97 0.36 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.674 0.789 . . . . 0.0 111.985 175.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.6 80.01 2.59 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.939 0.876 . . . . 0.0 109.384 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 79' ' ' HIS . 28.6 t60 -141.24 18.43 2.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.464 -1.244 . . . . 0.0 108.838 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -79.72 20.42 0.59 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.871 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.401 ' H ' ' C ' ' A' ' 77' ' ' HIS . 26.7 t60 -64.46 -25.58 68.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.259 173.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -105.14 95.98 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.559 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -86.67 121.55 29.34 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 . . . . . 0 C--N 1.316 -0.889 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.907 -176.38 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.467 0.175 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.92 117.58 13.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -95.73 147.71 23.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.3 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 49.1 ttm -86.68 123.03 31.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.103 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.2 50.32 1.83 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.176 0.512 . . . . 0.0 111.244 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.4 113.58 22.29 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 176.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -138.75 -62.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.97 -175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -127.4 140.4 52.2 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.826 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.456 ' HB2' ' CG1' ' B' ' 32' ' ' VAL . 38.5 p90 -125.29 145.7 49.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.812 -178.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -130.85 143.86 51.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.909 0.385 . . . . 0.0 110.571 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -79.57 103.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.53 ' HG3' ' HB3' ' B' ' 39' ' ' ALA . 63.3 mm-40 -72.01 -43.7 64.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.456 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -147.05 114.42 6.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.442 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.478 HD13 HG22 ' B' ' 29' ' ' ILE . 96.0 mt -75.11 -63.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.455 -174.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 75.5 mt -143.99 143.84 31.4 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.502 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 17.0 m -106.38 102.53 11.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 166.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.481 HD13 HD13 ' B' ' 29' ' ' ILE . 68.4 mt -81.48 -58.33 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -169.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -157.75 165.17 36.06 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.741 -0.784 . . . . 0.0 112.946 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 0.2 OUTLIER -132.9 129.71 38.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 164.481 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.46 ' HB3' ' HB2' ' B' ' 25' ' ' TRP . 28.5 t-20 -95.09 124.54 39.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.939 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.443 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 12.7 mm-40 54.21 34.92 21.37 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 124.005 0.816 . . . . 0.0 110.014 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.7 tttp 42.36 73.34 0.14 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.238 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.54 ' CA ' ' HG3' ' B' ' 48' ' ' PRO . . . -179.6 -60.53 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.198 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.46 ' HB2' ' HB3' ' B' ' 21' ' ' ASN . 81.0 m95 -82.85 96.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.982 0.42 . . . . 0.0 109.924 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.554 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 75.7 p -86.59 168.74 13.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.475 -175.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.47 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 8.0 ttpm? -146.83 113.72 6.12 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.502 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 5.3 mp0 -124.05 166.49 15.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.149 -173.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.481 HD13 HD13 ' B' ' 18' ' ' LEU . 62.0 mt -127.61 133.36 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.079 176.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.481 ' N ' HD21 ' B' ' 30' ' ' ASN . 0.1 OUTLIER -157.48 161.15 38.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -176.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.486 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 60.8 mtm180 -98.19 125.93 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.435 174.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' B' ' 9' ' ' PHE . 47.1 t -117.75 135.73 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.259 -174.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.3 p -103.14 139.43 38.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.806 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -111.83 107.28 16.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 62.13 -78.81 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.828 0.705 . . . . 0.0 111.495 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.2 35.93 1.13 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.31 153.26 41.28 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 147.66 55.82 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.041 2.494 . . . . 0.0 112.331 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.53 ' HB3' ' HG3' ' B' ' 12' ' ' GLU . . . -63.73 119.68 10.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.708 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -105.63 168.49 9.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.741 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.55 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 75.7 m-85 -96.3 130.29 43.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -119.07 120.07 36.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.103 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.435 HD11 HG21 ' B' ' 29' ' ' ILE . 18.8 mm -106.23 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -146.02 144.95 30.4 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.171 -168.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -100.72 148.63 24.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.969 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -125.23 145.08 50.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.2 p -89.32 160.13 43.13 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.453 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.54 ' HG3' ' CA ' ' B' ' 24' ' ' GLY . 36.5 Cg_exo -60.4 -38.4 74.64 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.494 2.129 . . . . 0.0 111.046 177.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.02 137.54 53.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.78 175.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -77.89 0.53 23.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -167.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -72.73 -28.35 62.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.564 0.62 . . . . 0.0 110.975 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -86.5 -19.69 29.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.356 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 23.4 mmt 62.33 -176.7 0.14 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.193 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.46 178.06 23.46 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.301 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -127.84 154.6 45.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.912 0.356 . . . . 0.0 110.538 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.74 179.39 40.62 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.648 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 43' ' ' ILE . 19.7 tt -139.42 137.11 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.058 0.456 . . . . 0.0 110.817 -178.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 19.4 m -93.02 131.57 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.55 140.13 45.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.073 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.8 m -74.72 159.29 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.201 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.55 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 9.9 m120 -60.08 -38.62 83.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -177.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -70.16 -46.97 63.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.459 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.93 -38.69 86.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.311 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -63.92 -46.25 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.426 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -58.7 -40.78 84.64 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 109.818 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.5 m -58.67 -50.73 72.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.643 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.528 ' HA ' HD13 ' A' ' 16' ' ' LEU . 9.4 ptt? -64.54 -39.79 94.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.657 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 42.6 t -61.52 -43.41 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.23 -176.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.608 ' HA ' ' HG2' ' B' ' 72' ' ' LYS . 36.8 t70 -66.48 -35.55 80.56 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.063 0.459 . . . . 0.0 110.659 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.88 74.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -81.39 -32.56 32.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.663 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.608 ' HG2' ' HA ' ' B' ' 69' ' ' ASP . 9.5 ptmm? -72.43 -15.3 61.83 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.53 37.5 1.62 Allowed Glycine 0 CA--C 1.522 0.512 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.707 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' B' ' 72' ' ' LYS . 24.6 t-20 76.89 96.98 0.07 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.849 0.86 . . . . 0.0 112.518 175.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.505 HD22 HG23 ' A' ' 68' ' ' VAL . 16.6 tp -107.02 -48.9 3.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.451 172.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.766 ' HG2' ' H ' ' B' ' 78' ' ' HIS . 0.0 OUTLIER -65.7 -27.0 68.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.332 -175.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' B' ' 76' ' ' GLU . 53.4 m80 68.99 6.24 5.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.948 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.766 ' H ' ' HG2' ' B' ' 76' ' ' GLU . 99.1 m-70 -127.88 57.41 1.54 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.787 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -62.75 118.83 8.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.026 177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -124.58 9.68 8.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.623 -175.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -162.03 136.55 6.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.301 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.761 -0.637 . . . . 0.0 109.839 178.152 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' HD2' ' O ' ' A' ' 5' ' ' ALA . 17.7 pttm -77.19 156.46 31.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 111.152 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -77.04 65.89 2.76 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.768 -171.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptt? 40.3 38.4 0.54 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.262 1.025 . . . . 0.0 112.517 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.426 ' O ' ' HD2' ' A' ' 2' ' ' LYS . . . -147.62 -167.3 2.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.725 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -82.22 -168.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.925 0.393 . . . . 0.0 111.257 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -89.89 154.19 20.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.118 0.485 . . . . 0.0 111.513 -171.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -123.02 135.98 54.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.486 171.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -130.72 141.22 50.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.894 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -143.5 144.23 31.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.19 123.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 0.0 110.502 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.07 -56.92 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -146.27 121.07 9.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.663 -171.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -95.54 129.62 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 172.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 mt -94.83 -34.93 12.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.85 -169.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' B' ' 70' ' ' ALA . 0.8 OUTLIER -152.45 116.51 4.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -171.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.623 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 52.2 m -92.13 116.76 29.22 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD23 HD23 ' A' ' 16' ' ' LEU . 95.3 mt -88.87 -68.78 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.966 -171.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -152.32 174.76 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.501 0.667 . . . . 0.0 112.671 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -124.76 114.41 19.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.446 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.552 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 15.9 m120 -96.18 177.81 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.495 -172.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.33 140.05 5.87 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.702 -1.136 . . . . 0.0 112.118 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 tptp 73.24 7.2 5.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.531 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.92 27.68 25.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.364 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.0 m0 -88.19 105.89 17.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.7 m -85.84 138.21 32.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.899 0.381 . . . . 0.0 110.079 -174.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.552 ' HE3' ' OD1' ' A' ' 21' ' ' ASN . 37.4 ttmt -118.51 120.3 37.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.801 -175.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.623 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 15.2 pt-20 -157.8 169.23 25.08 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.415 0.626 . . . . 0.0 111.514 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.498 HG12 HG22 ' A' ' 43' ' ' ILE . 67.4 mt -109.84 124.61 66.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.336 -175.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 14' ' ' HIS . 7.2 p30 -143.57 174.57 10.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.997 0.427 . . . . 0.0 111.436 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 69.3 mtp180 -114.71 123.4 49.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.184 178.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.53 132.98 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 t -92.98 125.84 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.48 98.59 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.588 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 65.52 -82.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.982 0.801 . . . . 0.0 110.819 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.18 66.95 0.4 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . . . -143.09 159.09 57.23 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 37' ' ' ALA . 10.5 Cg_endo -54.81 129.76 36.89 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.623 2.215 . . . . 0.0 111.844 177.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -56.68 108.77 0.53 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.421 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.728 ' HB2' ' HZ1' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -81.7 148.96 28.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.113 -175.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -76.89 128.76 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.236 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.439 ' CG ' HH21 ' A' ' 44' ' ' ARG . 10.1 t70 -137.12 123.4 20.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.958 0.409 . . . . 0.0 110.582 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.714 HG23 HD12 ' B' ' 57' ' ' ILE . 55.6 mt -100.86 105.18 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.439 HH21 ' CG ' ' A' ' 42' ' ' ASP . 13.4 ptp180 -139.31 156.35 47.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 112.26 -170.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.86 121.18 40.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.228 -0.897 . . . . 0.0 108.918 168.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -108.03 173.26 6.4 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.735 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.645 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 17.3 p -141.95 170.32 9.32 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.562 -170.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.645 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 60.8 Cg_endo -75.35 -11.86 20.85 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 121.997 1.798 . . . . 0.0 112.697 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -119.53 -30.84 4.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 73.96 4.5 4.64 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.666 0.604 . . . . 0.0 110.041 -174.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 m -75.57 83.73 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.315 0.579 . . . . 0.0 110.485 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.523 ' HE3' ' HA2' ' A' ' 54' ' ' GLY . 54.3 pttt 174.04 -179.34 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.731 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 56.7 mtt -85.71 -20.07 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.035 0.445 . . . . 0.0 110.241 175.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.56 ' O ' ' HB2' ' A' ' 55' ' ' LYS . . . 121.82 -63.79 0.51 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.537 173.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 54' ' ' GLY . 21.6 mmtp 74.48 78.2 0.12 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.992 0.901 . . . . 0.0 109.301 -167.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.547 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -175.72 170.63 43.64 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.593 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.8 tt -145.76 141.02 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 117.273 0.537 . . . . 0.0 111.258 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.479 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 6.1 m -90.18 135.36 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.94 153.53 35.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.152 0.501 . . . . 0.0 111.048 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -85.05 162.89 19.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.036 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -57.15 -42.95 81.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.198 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -59.74 -47.38 85.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.094 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HB3' HD12 ' B' ' 18' ' ' LEU . 38.6 mt-10 -64.63 -43.98 91.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.807 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.554 ' HD2' HD22 ' B' ' 75' ' ' LEU . 7.0 t80 -57.76 -51.39 69.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.65 -176.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -62.14 -38.2 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.6 m -59.41 -46.65 88.11 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.62 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 23.2 ptt? -67.7 -34.62 77.26 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.396 -177.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 64' ' ' PHE . 90.8 t -57.97 -50.17 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.803 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.43 -40.84 89.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.254 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.72 96.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.481 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -88.1 -10.08 51.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.121 0.486 . . . . 0.0 110.892 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HZ3' ' CD ' ' B' ' 76' ' ' GLU . 77.9 tttt -66.27 -33.44 75.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 171.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.97 -43.52 2.6 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.874 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 34.4 m-80 -99.95 154.48 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -177.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' A' ' 74' ' ' ASN . 39.2 tp 73.99 -39.62 0.43 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.188 0.595 . . . . 0.0 111.559 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.05 97.58 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.49 0.662 . . . . 0.0 109.26 176.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -118.46 12.36 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.662 -173.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -94.69 80.56 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.396 0.617 . . . . 0.0 110.876 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -128.96 -49.38 1.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.238 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 143.53 32.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.144 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -89.4 -22.76 22.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.5 p80 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.239 175.266 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.792 0.329 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -140.52 108.52 5.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.38 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -93.86 -69.04 0.77 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.244 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 13.9 mmt -135.02 -32.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.79 -141.91 0.78 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.505 0.503 . . . . 0.0 109.783 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -153.79 176.93 11.56 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -70.18 100.65 1.71 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.238 0.542 . . . . 0.0 110.111 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m -98.0 118.72 35.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.192 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -105.89 119.22 38.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.143 0.497 . . . . 0.0 110.002 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -100.27 127.16 46.61 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.5 mt -81.5 103.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -75.92 -66.6 0.77 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.558 -174.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.467 ' HB3' HH11 ' B' ' 31' ' ' ARG . 37.2 tt0 -151.56 131.82 13.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.964 -173.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -81.03 116.01 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.481 HD12 HG23 ' B' ' 29' ' ' ILE . 41.1 mt -70.45 -54.86 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.347 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -165.44 153.63 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.654 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.435 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 21.7 m -98.8 136.43 38.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.819 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 63' ' ' GLU . 87.7 mt -92.31 -69.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.736 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -170.56 -177.37 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 12.6 pt-20 -114.75 136.12 53.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.562 0.696 . . . . 0.0 110.202 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 8.9 t30 -94.97 141.94 28.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.658 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 59.28 -91.27 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.141 0 O-C-N 124.283 0.99 . . . . 0.0 109.704 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -158.76 110.06 2.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 173.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.62 -20.14 46.54 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.508 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.446 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 50.1 m95 -76.56 81.23 3.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 117.814 0.807 . . . . 0.0 109.63 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 18.1 m -85.07 137.47 33.03 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.224 0.535 . . . . 0.0 110.761 -169.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' A' ' 58' ' ' THR . 2.8 ttmp? -115.19 121.65 43.62 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.47 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.435 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 0.1 OUTLIER -144.7 171.58 14.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.595 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.523 HG12 HG12 ' B' ' 43' ' ' ILE . 37.7 mt -119.35 117.21 53.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.19 159.37 33.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.225 0.535 . . . . 0.0 110.707 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.467 HH11 ' HB3' ' B' ' 13' ' ' GLU . 13.4 ttm105 -93.2 119.21 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.09 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -110.97 135.2 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.912 0.386 . . . . 0.0 110.716 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -103.67 106.6 17.16 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -88.58 119.62 29.21 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.306 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 72.26 -62.1 0.47 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.135 0.897 . . . . 0.0 112.61 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.45 -147.61 8.55 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.854 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.711 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -79.92 -37.18 1.09 Allowed Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.711 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 10.0 Cg_endo -51.14 104.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.501 2.134 . . . . 0.0 112.822 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.425 ' CB ' ' HD3' ' B' ' 31' ' ' ARG . . . -88.84 142.45 27.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.668 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -119.72 176.97 5.13 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' B' ' 59' ' ' LEU . 29.8 m-85 -122.29 113.8 19.92 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -122.44 134.51 54.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.236 0.541 . . . . 0.0 111.06 -171.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.523 HG12 HG12 ' B' ' 29' ' ' ILE . 56.0 mt -91.19 114.43 28.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.366 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -123.5 148.9 45.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.374 0.607 . . . . 0.0 112.005 -173.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.97 127.07 51.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.048 172.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -108.25 124.62 50.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.042 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.3 p -77.72 152.85 80.71 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.112 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.88 -22.82 48.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.23 1.953 . . . . 0.0 111.709 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -158.49 176.74 12.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -77.37 60.84 2.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.609 0.719 . . . . 0.0 110.288 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -87.97 -63.89 1.23 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.259 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -121.17 -85.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -158.17 -177.85 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.25 -76.83 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 62.98 -161.73 0.29 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.086 0.554 . . . . 0.0 112.059 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.32 -140.47 7.13 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.714 HD12 HG23 ' A' ' 43' ' ' ILE . 15.6 tt -141.82 135.6 29.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -89.75 139.27 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.26 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' B' ' 41' ' ' PHE . 90.4 mt -135.51 131.81 36.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.127 0.489 . . . . 0.0 110.795 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.0 p -91.63 179.43 5.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.118 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.18 -52.88 62.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.629 -173.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.09 -44.72 91.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.286 -176.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.457 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 45.1 mt-10 -62.32 -44.45 96.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.251 0.548 . . . . 0.0 110.44 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.465 ' O ' HG23 ' B' ' 68' ' ' VAL . 9.3 t80 -69.56 -45.45 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.873 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -43.06 86.77 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 177.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.1 m -58.03 -40.38 80.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.438 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.463 ' HB3' ' O ' ' B' ' 64' ' ' PHE . 13.7 tmm? -57.77 -41.41 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.625 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 64' ' ' PHE . 90.6 t -60.47 -63.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.249 -175.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.45 -36.02 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.466 ' HB2' HD13 ' A' ' 16' ' ' LEU . . . -63.52 -48.06 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.484 ' HB3' HG23 ' A' ' 68' ' ' VAL . 12.8 m-85 -76.0 -30.61 58.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.22 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.406 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 76.7 tttt -50.2 -39.67 44.91 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.817 0.698 . . . . 0.0 110.629 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.1 41.98 2.05 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.331 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -141.77 -40.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.554 HD22 ' HD2' ' A' ' 64' ' ' PHE . 5.5 mp -101.25 -172.46 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.597 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' B' ' 75' ' ' LEU . 33.3 tt0 70.3 143.09 0.05 Allowed 'General case' 0 N--CA 1.462 0.143 0 O-C-N 124.173 0.921 . . . . 0.0 110.181 -176.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -71.44 83.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 172.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.459 ' O ' ' HB3' ' B' ' 79' ' ' HIS . 13.6 t60 -114.35 -1.24 13.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.368 -169.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' B' ' 78' ' ' HIS . 42.3 t-80 68.09 98.04 0.06 Allowed 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -62.48 164.9 6.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.522 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -51.66 121.0 5.77 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.804 -168.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.232 -0.89 . . . . 0.0 108.669 175.599 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.892 0.377 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -153.21 116.67 4.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.179 0.514 . . . . 0.0 110.704 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -137.66 -8.62 1.65 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.825 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.2 mtt -86.12 -12.04 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.73 -176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.34 26.47 15.82 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.688 0.395 . . . . 0.0 111.758 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.45 163.62 27.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.88 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' HD2' HD22 ' A' ' 35' ' ' ASN . 93.8 m-85 -73.78 -178.98 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.961 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 p -87.84 116.21 25.83 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.492 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.596 ' HA ' ' O ' ' A' ' 33' ' ' SER . 48.5 p90 -147.41 131.06 16.87 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -153.81 144.36 22.42 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.68 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.526 HG12 HG23 ' A' ' 32' ' ' VAL . 62.7 mt -75.92 105.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.115 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.56 -50.5 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.994 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -133.2 146.9 51.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.54 113.69 26.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.532 HD12 HG23 ' A' ' 29' ' ' ILE . 95.2 mt -68.56 -70.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.549 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.89 137.76 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 176.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.536 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 11.4 m -73.43 137.42 44.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.637 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 79.7 mt -93.67 -80.26 0.39 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.776 0.322 . . . . 0.0 110.569 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.495 ' HB2' ' HB3' ' B' ' 63' ' ' GLU . 59.1 m -162.45 156.72 21.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.756 -175.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 0.7 OUTLIER -101.24 145.12 29.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.296 0.569 . . . . 0.0 110.764 176.35 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.89 145.13 42.52 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.25 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' HB3' ' HD1' ' A' ' 25' ' ' TRP . 24.2 tt0 62.97 17.84 10.4 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.011 0.434 . . . . 0.0 111.38 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt 57.17 90.39 0.04 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.4 -46.94 1.04 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.148 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.495 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 83.7 m95 -77.11 91.63 3.71 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 15.7 m -86.18 137.8 32.37 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.013 0.435 . . . . 0.0 110.544 -173.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HG3' HD12 ' B' ' 57' ' ' ILE . 14.9 ttmm -104.61 116.72 32.55 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.536 ' HG3' ' HA ' ' A' ' 17' ' ' THR . 36.1 tt0 -137.7 152.23 49.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.964 -177.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 15' ' ' LEU . 53.1 mt -109.82 113.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.174 0.512 . . . . 0.0 109.946 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -121.12 176.44 5.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.308 -176.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -120.79 124.71 45.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.245 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.526 HG23 HG12 ' A' ' 11' ' ' ILE . 46.0 t -115.25 131.11 68.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.596 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 27.2 t -83.71 133.07 34.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -122.53 97.62 5.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.735 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.535 HD22 ' HD2' ' A' ' 7' ' ' PHE . 5.3 m-20 51.47 85.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.742 0.651 . . . . 0.0 112.484 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.6 -107.73 0.64 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.836 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.934 ' H ' ' HD2' ' A' ' 38' ' ' PRO . . . -148.61 -42.48 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.934 ' HD2' ' H ' ' A' ' 37' ' ' ALA . 9.3 Cg_endo -52.63 105.71 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.721 2.28 . . . . 0.0 112.693 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.28 98.59 11.04 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.736 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -74.74 163.22 27.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -87.08 132.96 33.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.812 -173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' OD2' ' HD2' ' A' ' 44' ' ' ARG . 15.1 t70 -130.89 109.93 10.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.272 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.503 HG21 HG12 ' A' ' 29' ' ' ILE . 53.0 mt -91.0 105.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HD2' ' OD2' ' A' ' 42' ' ' ASP . 17.4 ttt85 -127.03 156.35 41.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.345 0.593 . . . . 0.0 112.385 -163.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.83 137.38 42.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.654 171.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.495 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 29.9 m95 -107.85 136.38 47.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.141 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -88.76 150.02 45.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.358 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.43 -56.33 3.2 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.431 2.087 . . . . 0.0 111.954 173.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -162.41 86.77 0.6 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.839 0.352 . . . . 0.0 110.952 176.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 56.93 32.24 21.17 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.993 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 m -62.6 -66.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.519 -173.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -131.45 -81.18 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.4 ttt -175.94 -49.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.38 -143.56 16.73 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.526 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -141.1 167.55 21.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 167.77 157.53 11.03 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.707 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.538 ' HB ' ' HA2' ' B' ' 56' ' ' GLY . 16.7 tt -154.54 131.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.938 0.399 . . . . 0.0 110.443 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 p -88.0 134.67 33.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 HD13 ' HD1' ' A' ' 64' ' ' PHE . 79.1 mt -118.8 137.3 53.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.151 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB2' ' HG3' ' A' ' 63' ' ' GLU . 6.3 m -73.91 161.55 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -53.74 -49.12 68.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.404 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.81 -46.64 87.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' A' ' 60' ' ' SER . 32.2 mt-10 -64.46 -42.77 95.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.725 -176.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.591 ' O ' ' HG3' ' A' ' 67' ' ' MET . 43.2 t80 -63.76 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.138 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -44.22 90.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.652 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 85.6 m -53.91 -43.96 70.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.032 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -73.6 -29.71 62.55 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.259 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.504 HG22 HD21 ' B' ' 75' ' ' LEU . 35.3 t -63.61 -46.12 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.724 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -74.56 -32.83 62.54 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.259 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.27 77.94 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.497 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.492 ' HB3' HG12 ' B' ' 68' ' ' VAL . 26.2 m-85 -75.05 -17.02 60.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.869 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 79.0 tttt -65.15 -33.33 75.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.529 0.68 . . . . 0.0 109.286 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.47 -27.49 43.14 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.7 -176.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -128.37 171.48 11.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.753 0.777 . . . . 0.0 111.887 -173.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.454 HD21 HG22 ' B' ' 68' ' ' VAL . 25.6 tp 72.36 -8.83 1.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.742 0.817 . . . . 0.0 112.069 176.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -77.9 112.18 14.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.59 0.709 . . . . 0.0 111.076 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -154.86 31.41 0.41 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.053 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -59.74 105.67 0.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.266 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -128.66 177.88 6.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.611 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -81.77 -49.74 10.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -141.15 165.56 27.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.789 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.544 -0.741 . . . . 0.0 109.205 174.163 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.54 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 27.0 ttt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.604 0.24 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' B' ' 1' ' ' MET . 28.6 tttp 170.49 -38.32 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.829 178.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -154.57 -47.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.461 -175.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.4 ttt -79.37 -70.55 0.5 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.662 0.268 . . . . 0.0 111.059 -174.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' B' ' 1' ' ' MET . . . -104.12 101.38 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -112.73 121.64 45.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 -172.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -138.63 157.93 45.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.783 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p -103.87 141.8 35.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.46 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.412 ' HE1' ' HE1' ' B' ' 1' ' ' MET . 35.9 p90 -124.61 120.42 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.137 0.494 . . . . 0.0 110.13 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.97 114.43 26.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.001 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.416 HD12 ' N ' ' B' ' 11' ' ' ILE . 3.7 mp -74.19 104.03 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -89.03 -65.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.362 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.404 ' CD ' HH21 ' B' ' 31' ' ' ARG . 38.5 tt0 -128.52 147.34 50.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.118 -170.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -105.13 113.1 26.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.512 HD13 HG22 ' B' ' 29' ' ' ILE . 97.2 mt -70.35 -57.97 4.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.5 138.56 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.547 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.923 HG22 ' HG2' ' B' ' 28' ' ' GLU . 91.6 m -86.15 114.44 23.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 67' ' ' MET . 94.5 mt -67.34 -71.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -179.27 161.01 1.06 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.86 -174.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -103.17 140.11 37.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.234 0.54 . . . . 0.0 110.168 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -92.57 144.43 25.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.85 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 58.19 -92.29 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 O-C-N 124.168 0.917 . . . . 0.0 109.593 -172.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -172.09 84.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -34.91 1.8 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.972 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -72.62 83.21 1.14 Allowed 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.3 m -86.12 137.26 32.8 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.136 -171.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.713 ' HZ3' ' HB3' ' B' ' 27' ' ' LYS . 7.3 ttpm? -128.29 117.28 21.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.104 -171.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.923 ' HG2' HG22 ' B' ' 17' ' ' THR . 24.6 mt-10 -134.35 163.81 28.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.67 -172.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.512 HG22 HD13 ' B' ' 15' ' ' LEU . 51.4 mt -117.74 116.02 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -123.34 -176.16 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.544 . . . . 0.0 111.23 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 33.9 mtm180 -126.82 101.93 6.81 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.192 168.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.3 t -106.97 135.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.05 0.452 . . . . 0.0 111.132 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -90.54 136.24 33.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.285 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.61 121.6 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.829 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 63.33 -82.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.894 0.746 . . . . 0.0 111.292 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.04 10.85 1.38 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.2 154.64 51.97 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.37 158.08 32.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.583 2.188 . . . . 0.0 112.31 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' B' ' 31' ' ' ARG . . . -61.42 118.98 7.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.058 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 69.8 mmtt -101.55 161.57 13.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.383 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.426 ' HD1' HD11 ' B' ' 15' ' ' LEU . 8.6 m-85 -85.07 114.79 22.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 -173.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -116.51 141.19 48.5 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.189 0.519 . . . . 0.0 111.067 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.528 HG22 HD12 ' A' ' 57' ' ' ILE . 55.7 mt -104.83 104.6 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 45.0 ttt180 -114.81 128.76 56.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.64 -168.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.28 108.58 14.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . 0.515 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 31.5 p-90 -108.39 133.87 51.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.214 0.53 . . . . 0.0 111.365 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -77.26 157.32 80.91 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.535 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -57.39 113.66 1.59 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.609 2.206 . . . . 0.0 112.089 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 59.65 -90.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.564 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -155.22 85.13 1.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.75 0.786 . . . . 0.0 111.074 173.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.45 HG23 ' HD2' ' B' ' 52' ' ' LYS . 32.9 m -109.19 -51.05 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.169 176.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.45 ' HD2' HG23 ' B' ' 51' ' ' THR . 13.7 mptt -124.58 178.17 5.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.713 173.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 66.8 mtt -80.35 -26.0 38.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.966 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' B' ' 55' ' ' LYS . . . 85.31 -62.7 4.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.58 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' B' ' 54' ' ' GLY . 87.5 mttt 73.42 -172.98 0.14 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.244 0.618 . . . . 0.0 111.704 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.538 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 153.56 -162.96 30.57 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -176.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.476 HG23 HG22 ' A' ' 57' ' ' ILE . 12.1 tt -151.55 142.93 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.099 0.449 . . . . 0.0 111.041 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.2 m -106.0 142.21 36.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mp -120.69 148.31 44.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.489 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 33.0 t -96.86 -173.39 2.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.972 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -64.06 -49.59 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -66.34 -57.09 8.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 2.5 pm0 -61.54 -35.45 77.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.744 -176.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.73 -45.84 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.836 0.351 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -32.65 74.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -63.31 -50.29 70.62 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.178 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -67.45 -37.74 83.43 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.821 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.492 HG12 ' HB3' ' A' ' 71' ' ' PHE . 42.1 t -60.77 -55.6 23.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.181 -176.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -52.76 -46.79 67.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 123.319 0.387 . . . . 0.0 110.715 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.82 -58.93 6.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.4 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -67.38 -30.25 69.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.169 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.869 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 44.5 tttm -59.54 -28.06 66.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.244 0.545 . . . . 0.0 110.175 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.07 81.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.73 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -158.37 -178.08 7.02 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.915 1.357 . . . . 0.0 112.814 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.504 HD21 HG22 ' A' ' 68' ' ' VAL . 50.4 tp 71.42 -57.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.568 1.147 . . . . 0.0 113.245 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.93 149.74 35.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.802 0.334 . . . . 0.0 110.209 -177.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -146.44 163.34 35.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.212 0.53 . . . . 0.0 111.754 -172.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -141.82 37.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.998 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -140.57 115.16 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.117 0.484 . . . . 0.0 111.835 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.75 117.72 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.295 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -97.76 159.32 15.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.003 0.43 . . . . 0.0 111.41 -174.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 75.8 m80 . . . . . 0 C--O 1.244 0.797 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.456 175.439 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.983 0.42 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -142.79 116.78 9.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.632 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -153.82 91.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.37 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 mmt -102.29 115.52 30.74 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.47 -165.83 2.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.177 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -88.12 151.64 22.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.552 -178.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 17.6 m-85 -86.55 136.07 33.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.319 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m -72.82 117.18 14.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.442 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 45.4 p90 -120.44 138.78 53.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.181 0.515 . . . . 0.0 111.215 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.4 145.95 41.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.954 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.74 122.43 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.189 0.518 . . . . 0.0 110.958 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 14.2 mm-40 -88.59 -50.51 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.863 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.501 ' OE1' ' HD3' ' A' ' 31' ' ' ARG . 51.4 tt0 -146.35 144.73 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.787 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -96.91 116.34 29.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 29' ' ' ILE . 92.8 mt -71.54 -55.54 7.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.075 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.0 OUTLIER -169.05 144.45 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.203 175.018 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -84.52 110.09 18.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 HD12 ' HG2' ' A' ' 27' ' ' LYS . 88.8 mt -62.13 -75.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.461 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 66.6 m -165.83 155.63 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 35.1 tt0 -100.2 132.05 45.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.624 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.73 123.21 44.61 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.502 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 41.67 42.58 2.12 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.687 1.242 . . . . 0.0 113.547 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 63.05 106.04 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.841 0.713 . . . . 0.0 111.731 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.89 -48.54 0.93 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.951 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.44 ' HZ2' ' HD2' ' A' ' 52' ' ' LYS . 71.9 m95 -78.65 79.97 5.04 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.134 0.467 . . . . 0.0 110.241 -176.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.496 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 5.9 m -91.89 137.73 32.13 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.736 -173.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.702 ' HE2' ' HB3' ' B' ' 59' ' ' LEU . 4.2 ttmp? -116.95 125.57 51.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.706 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.7 tt0 -147.98 152.59 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.215 -175.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.499 HG12 HG21 ' A' ' 43' ' ' ILE . 50.4 mt -109.47 123.33 65.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -124.14 161.59 25.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 0.0 111.768 -170.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.632 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 42.5 mtp-105 -99.93 108.62 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 168.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 53.0 t -114.12 132.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -173.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 p -89.22 132.39 34.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -113.71 101.09 8.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -173.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.435 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 59.2 t30 57.59 30.31 18.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.165 169.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.76 -16.54 23.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.305 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.42 149.48 75.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 157.93 14.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.955 2.437 . . . . 0.0 112.802 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.494 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -66.93 106.56 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.071 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.632 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 8.8 mtpm? -84.37 162.82 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.738 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.4 ' HD1' HD12 ' A' ' 15' ' ' LEU . 44.6 m-85 -91.08 112.91 25.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -137.4 140.22 41.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.968 0.413 . . . . 0.0 110.764 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.499 HG21 HG12 ' A' ' 29' ' ' ILE . 59.6 mt -98.74 130.18 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.113 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -147.07 172.25 14.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.363 0.602 . . . . 0.0 111.497 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.66 135.71 46.01 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.496 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 38.5 p-90 -111.17 131.42 55.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.532 0.682 . . . . 0.0 110.704 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.72 161.43 74.08 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.014 -175.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -67.57 82.89 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.197 1.931 . . . . 0.0 111.258 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.0 t70 61.78 79.0 0.27 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.186 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.9 p80 37.85 40.57 0.29 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.768 1.227 . . . . 0.0 113.918 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.409 HG21 ' HG3' ' A' ' 52' ' ' LYS . 70.8 m -94.75 121.46 36.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.765 0.316 . . . . 0.0 111.01 179.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HD2' ' HZ2' ' A' ' 25' ' ' TRP . 63.0 mttp 69.6 -88.44 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.999 178.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -160.61 164.58 31.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.705 -174.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.7 -74.85 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt 59.66 -160.69 0.28 Allowed 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.102 0.561 . . . . 0.0 112.371 175.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.78 -159.39 31.34 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.469 HD12 HG21 ' B' ' 43' ' ' ILE . 19.2 tt -133.16 134.13 57.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.071 0.462 . . . . 0.0 110.457 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 p -94.45 138.88 31.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.335 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -128.02 147.73 50.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.297 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.633 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 40.1 t -77.99 153.27 32.57 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 170.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.18 -32.64 66.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.26 0.553 . . . . 0.0 110.665 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.04 -44.71 60.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.63 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.633 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 46.4 mt-10 -63.07 -40.17 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.25 0.548 . . . . 0.0 109.866 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.531 ' O ' ' HG3' ' A' ' 67' ' ' MET . 32.3 t80 -59.71 -52.82 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.297 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -58.35 -37.11 74.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.691 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.3 m -57.26 -50.74 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.404 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.531 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -71.35 -33.13 69.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.734 -178.727 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.508 HG23 HD22 ' B' ' 75' ' ' LEU . 78.0 t -60.43 -51.59 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.98 0.419 . . . . 0.0 110.451 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.96 -43.88 91.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.657 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.15 -45.32 73.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.97 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' CE1' ' HZ ' ' B' ' 64' ' ' PHE . 17.2 m-85 -74.32 -24.55 59.23 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.71 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 48.1 tttm -75.13 -25.94 58.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.46 . . . . 0.0 109.906 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.25 -49.9 4.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.137 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.443 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -90.17 -167.37 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.847 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 16.8 tp 51.36 -151.87 0.23 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.351 0.407 . . . . 0.0 110.011 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.847 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 18.1 tp10 57.08 26.88 12.56 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.961 0.886 . . . . 0.0 109.425 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -99.13 90.28 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.708 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -80.72 100.56 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -110.85 84.67 1.97 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.377 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.2 m80 54.35 -113.1 0.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.483 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.76 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.614 0.766 . . . . 0.0 111.34 177.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.172 178.733 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.878 0.37 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -95.27 136.55 35.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' B' ' 5' ' ' ALA . 35.9 mmtp -102.27 -85.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.766 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.3 mmt 65.75 -41.07 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 0.0 112.751 -176.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' B' ' 3' ' ' LYS . . . -150.17 134.65 17.36 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' B' ' 6' ' ' GLU . 0.3 OUTLIER -63.54 -63.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.381 0.61 . . . . 0.0 109.487 179.122 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -133.51 98.31 4.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.689 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -94.9 139.41 31.36 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.719 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.541 ' HA ' ' O ' ' B' ' 33' ' ' SER . 39.1 p90 -153.42 142.44 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -143.94 151.25 39.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.407 HD11 ' N ' ' B' ' 11' ' ' ILE . 3.7 mp -75.54 109.68 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.43 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 0.8 OUTLIER -80.97 -45.23 16.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.079 -176.365 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.443 ' HB3' ' HD3' ' B' ' 31' ' ' ARG . 39.7 tt0 -161.94 117.9 2.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -89.25 121.8 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 0.0 109.676 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.65 -52.9 4.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.761 -172.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.493 HD13 HD22 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -132.38 102.92 5.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -174.121 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -84.84 94.63 8.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 172.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.493 HD22 HD13 ' B' ' 16' ' ' LEU . 90.7 mt -68.51 -75.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.424 -171.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -171.1 171.65 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.807 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -110.92 139.58 46.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.654 0.74 . . . . 0.0 110.26 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -81.79 164.54 21.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.078 -176.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -45.35 -38.09 5.5 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -81.62 12.2 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.313 . . . . 0.0 111.535 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.72 22.77 65.91 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.678 ' HZ3' ' HA2' ' B' ' 54' ' ' GLY . 9.5 m0 -93.87 127.84 39.83 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 -174.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.23 137.27 32.75 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -173.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -127.83 117.72 22.36 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -146.97 171.99 14.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.754 0.788 . . . . 0.0 112.099 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.489 HG12 HG23 ' B' ' 43' ' ' ILE . 69.2 mt -124.8 126.02 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.493 -1.231 . . . . 0.0 109.653 178.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.1 172.96 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.313 0.578 . . . . 0.0 112.52 -173.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 16.4 mtp180 -100.54 128.76 46.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.87 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 37.0 t -121.03 135.61 60.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.541 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 11.1 p -88.8 121.98 31.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -109.71 114.34 27.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 p30 44.8 33.67 1.03 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.513 1.125 . . . . 0.0 113.764 173.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.26 -138.28 6.36 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.313 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.652 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -70.48 -46.99 19.05 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.9 Cg_endo -52.35 107.17 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.027 2.485 . . . . 0.0 113.795 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.43 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -115.15 105.76 13.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 171.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 11.4 ptmm? -119.77 -179.5 3.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.184 0.516 . . . . 0.0 112.035 -170.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.524 ' HE2' HD21 ' B' ' 59' ' ' LEU . 23.0 t80 -83.61 128.29 34.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.57 -178.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.431 ' OD2' HG23 ' B' ' 58' ' ' THR . 4.6 m-20 -142.92 137.26 29.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.395 . . . . 0.0 110.928 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.489 HG23 HG12 ' B' ' 29' ' ' ILE . 15.7 mt -103.31 128.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -141.36 150.46 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.45 -171.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.89 109.46 12.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.863 167.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 7.5 p-90 -116.79 160.85 20.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.087 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 m -70.39 152.9 95.42 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.174 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.99 -61.15 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.181 2.587 . . . . 0.0 112.977 -177.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -134.4 -53.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.523 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -74.77 110.19 8.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.345 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 6.2 p -62.87 112.35 2.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.439 0.637 . . . . 0.0 112.538 -174.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -116.19 12.36 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.134 174.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 23.5 mmt 73.7 -78.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.244 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . 0.678 ' HA2' ' HZ3' ' B' ' 25' ' ' TRP . . . 101.96 -129.89 10.05 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.604 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -155.61 176.24 12.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 110.673 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.5 -166.81 35.5 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.9 tt -155.24 138.02 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 117.063 0.432 . . . . 0.0 110.507 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.431 HG23 ' OD2' ' B' ' 42' ' ' ASP . 68.9 p -102.78 126.32 49.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.017 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.702 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.6 pt? -146.03 168.75 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.54 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 p -88.96 166.19 14.08 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.2 -24.07 62.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 110.625 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -60.11 -51.46 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.93 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.461 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 37.1 mt-10 -64.06 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.461 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.581 ' CE2' HD22 ' A' ' 75' ' ' LEU . 7.1 t80 -59.63 -59.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.881 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -30.86 64.61 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.648 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -60.7 -50.48 73.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.347 177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.512 ' HA ' HD11 ' A' ' 16' ' ' LEU . 15.3 ptt? -67.8 -37.96 82.68 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.922 0.391 . . . . 0.0 110.198 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.519 HG21 HD21 ' A' ' 75' ' ' LEU . 75.3 t -62.01 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.882 -177.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.787 ' HA ' ' HE2' ' B' ' 72' ' ' LYS . 23.9 t70 -57.33 -49.68 75.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.202 176.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.426 ' CB ' HD12 ' A' ' 16' ' ' LEU . . . -62.58 -44.93 95.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.425 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.8 m-85 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 -178.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.787 ' HE2' ' HA ' ' B' ' 69' ' ' ASP . 27.9 ttpt -61.95 -31.24 71.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.211 0.529 . . . . 0.0 110.075 173.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.5 -1.16 81.29 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.884 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.525 ' HB3' HD11 ' B' ' 75' ' ' LEU . 5.1 m-20 -127.12 -178.37 4.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.809 0.305 . . . . 0.0 110.946 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' B' ' 74' ' ' ASN . 6.7 mp 47.03 -145.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.656 0.598 . . . . 0.0 111.788 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.671 ' HG3' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER 74.24 179.38 0.2 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.16 173.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 55.1 p-80 -52.9 117.88 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.642 0.734 . . . . 0.0 111.959 -175.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -120.29 124.38 45.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.198 171.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -79.87 14.34 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -168.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -81.08 -4.93 56.89 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 166.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.53 145.8 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.633 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.467 -0.777 . . . . 0.0 109.578 178.262 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -80.11 152.94 29.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.526 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -68.3 121.02 15.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.646 -175.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.9 mmm -169.28 126.38 0.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.014 177.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.24 78.47 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.154 0.502 . . . . 0.0 110.717 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -132.65 26.03 4.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.445 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -79.66 -142.27 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -131.76 161.12 33.64 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.704 -0.622 . . . . 0.0 111.001 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -108.11 126.22 52.51 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.75 139.58 52.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.048 0.451 . . . . 0.0 111.307 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 11' ' ' ILE . 3.6 mp -87.99 97.2 6.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -87.43 -29.87 21.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.224 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 9.2 tp10 -125.29 141.01 52.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -175.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -118.42 121.57 40.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.403 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 29' ' ' ILE . 44.7 mt -81.28 -56.11 4.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.542 HD13 ' CB ' ' B' ' 70' ' ' ALA . 1.1 pt? -173.34 154.21 2.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.366 172.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.557 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 32.1 m -99.06 112.56 24.66 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 170.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.524 HD11 ' HG2' ' A' ' 27' ' ' LYS . 37.9 mt -62.0 -70.08 0.21 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.471 -174.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.472 ' HG ' ' HG3' ' B' ' 63' ' ' GLU . 53.1 p -171.94 176.85 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -94.9 131.72 40.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.46 153.99 32.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.87 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 63.06 11.53 5.26 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.199 174.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mttp 58.83 78.75 0.24 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.384 0.611 . . . . 0.0 110.554 -178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.5 -46.55 0.92 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.227 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.624 ' HZ3' ' HA2' ' A' ' 54' ' ' GLY . 32.3 m95 -85.59 121.46 28.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.577 0.227 . . . . 0.0 110.535 -175.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -87.16 136.98 32.72 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.949 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.789 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 39.8 ttmt -106.07 118.08 35.7 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.557 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 10.8 pt-20 -156.69 170.56 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.089 0.471 . . . . 0.0 111.552 -173.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.542 HG21 HD13 ' A' ' 15' ' ' LEU . 17.9 mt -128.11 132.23 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.875 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -144.37 -178.38 5.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.301 -176.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.545 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 35.0 mtm180 -117.34 123.28 46.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 175.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -103.11 132.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.6 t -100.44 127.05 46.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.538 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.86 104.07 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.146 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.22 23.27 12.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.143 175.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.97 75.42 1.28 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.067 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -156.93 166.42 16.68 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 88.6 Cg_exo -47.8 123.29 8.21 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.53 2.153 . . . . 0.0 111.772 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.82 125.37 29.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.404 -173.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -99.16 150.11 22.39 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 1.7 p90 -83.33 144.47 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.157 0.503 . . . . 0.0 111.081 -173.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.576 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 7.5 t70 -138.74 135.25 34.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.361 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.538 HG23 HG12 ' A' ' 29' ' ' ILE . 43.6 mt -112.99 111.39 35.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.219 -177.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.871 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 63.9 mtt180 -146.34 175.46 10.52 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.715 0.769 . . . . 0.0 112.026 -178.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.36 127.05 53.22 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.684 165.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.73 144.31 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.442 0.639 . . . . 0.0 111.149 -170.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 p -73.78 134.26 78.69 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.249 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.23 -51.3 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.614 2.21 . . . . 0.0 109.911 170.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -88.39 107.15 18.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 169.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -86.05 25.52 1.13 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -162.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.7 p -77.23 -20.35 55.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.634 0.731 . . . . 0.0 109.07 169.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -93.86 149.61 21.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.058 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.8 mtt -75.78 -73.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.624 ' HA2' ' HZ3' ' A' ' 25' ' ' TRP . . . 123.81 124.26 2.88 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 -174.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -96.02 148.39 22.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 0.0 111.537 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.871 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . 175.12 -147.14 8.77 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.394 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.627 ' HB ' ' CA ' ' B' ' 56' ' ' GLY . 19.1 tt -146.96 134.07 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.022 0.439 . . . . 0.0 111.521 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.0 m -97.22 129.97 44.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.607 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -127.59 168.93 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 0.0 111.212 -170.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.83 146.0 31.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.019 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 64' ' ' PHE . 24.2 p-10 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.468 -172.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.83 -51.21 43.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.754 ' HB3' ' HB3' ' B' ' 18' ' ' LEU . 2.9 mp0 -63.54 -25.37 68.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.161 0.505 . . . . 0.0 110.446 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 2.5 t80 -59.25 -52.09 67.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.938 173.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.42 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.496 177.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.0 m -58.98 -53.57 56.92 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.45 ' HB3' HD23 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -72.12 -35.81 69.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.05 -175.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.493 HG22 HD23 ' B' ' 75' ' ' LEU . 48.7 t -58.66 -41.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.036 0.446 . . . . 0.0 110.781 177.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.29 -42.24 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.055 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.61 -49.35 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.584 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.476 ' HB3' HG21 ' B' ' 68' ' ' VAL . 35.8 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.379 -177.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.834 ' HZ1' ' HB3' ' A' ' 72' ' ' LYS . 6.1 ttpm? -60.92 -34.38 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.072 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.67 -48.72 79.62 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.967 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -174.22 123.64 0.31 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.016 0.436 . . . . 0.0 111.716 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.474 HD21 HG22 ' B' ' 68' ' ' VAL . 27.3 tp -133.65 -62.11 0.79 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -87.62 -96.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.353 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -151.31 168.0 26.12 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -112.78 132.96 55.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -115.3 81.04 1.51 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.99 0.424 . . . . 0.0 110.046 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -106.86 -22.64 12.63 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -128.58 173.61 10.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.741 175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.5 t60 . . . . . 0 C--O 1.243 0.76 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttm . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.798 0.333 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.701 ' HZ3' ' HB3' ' B' ' 2' ' ' LYS . 8.0 mtpm? -99.41 105.25 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.912 0.386 . . . . 0.0 111.096 -174.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -126.59 -60.52 1.24 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.025 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 63.7 mtt -113.5 110.36 20.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.529 -172.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.85 88.25 7.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 169.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.34 -74.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.994 -173.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.593 ' HD1' ' HB2' ' B' ' 35' ' ' ASN . 83.1 m-85 -129.64 109.49 11.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -72.34 117.69 14.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.929 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.235 0.54 . . . . 0.0 110.431 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.29 125.02 50.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -81.67 97.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.483 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 12.5 mm-40 -64.77 -57.17 9.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.929 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -166.52 152.66 8.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.657 -175.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -99.96 127.31 46.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.449 HD11 HG23 ' B' ' 29' ' ' ILE . 89.7 mt -71.82 -55.24 7.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -161.42 144.12 12.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.453 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -86.0 119.25 26.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.517 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.754 ' HB3' ' HB3' ' A' ' 63' ' ' GLU . 79.2 mt -74.4 -57.13 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.919 0.39 . . . . 0.0 110.354 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -161.46 169.4 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.607 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 31.6 tt0 -144.38 104.27 4.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.034 0.445 . . . . 0.0 110.32 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -77.81 123.7 27.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.227 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 61.12 12.12 3.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.181 175.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.607 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . 50.5 tttm 64.0 19.14 11.62 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.78 0.8 . . . . 0.0 110.254 -177.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.69 -42.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.006 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.467 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 46.8 m95 -102.4 91.28 4.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 0.0 110.49 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.635 ' HB ' ' HB2' ' B' ' 46' ' ' TRP . 3.3 m -86.19 157.07 20.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -129.94 117.56 20.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.88 156.31 42.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -169.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.494 HG12 HG22 ' B' ' 43' ' ' ILE . 56.0 mt -111.61 122.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.282 175.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.503 ' N ' HD21 ' B' ' 30' ' ' ASN . 0.1 OUTLIER -137.15 167.32 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.743 0.306 . . . . 0.0 111.135 -172.675 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -108.76 124.5 50.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -121.67 129.58 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -96.11 123.8 39.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.416 ' C ' ' H ' ' B' ' 36' ' ' GLY . 98.0 m-85 -105.8 117.39 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.944 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.593 ' HB2' ' HD1' ' B' ' 7' ' ' PHE . 23.2 t-20 72.81 -28.29 0.19 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 172.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' B' ' 34' ' ' PHE . . . 145.17 -6.57 1.54 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.611 -176.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.66 147.5 86.9 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.7 131.8 24.87 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 0.0 112.123 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.483 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -57.01 123.42 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.534 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.523 ' HG3' ' HA ' ' B' ' 60' ' ' SER . 13.7 mptt -89.33 176.2 7.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.727 175.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -103.9 114.0 27.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -110.81 129.66 55.79 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.947 0.403 . . . . 0.0 111.085 -174.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.494 HG22 HG12 ' B' ' 29' ' ' ILE . 22.8 mt -110.85 108.7 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.537 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.757 ' HB2' ' HA ' ' B' ' 55' ' ' LYS . 30.4 ptt-85 -154.0 -171.65 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.212 -177.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.98 161.91 15.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.705 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . 0.635 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 98.5 m95 -107.99 147.55 30.93 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 172.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m -143.0 164.98 28.7 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.05 98.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.31 2.006 . . . . 0.0 111.376 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' B' ' 50' ' ' HIS . 10.4 t70 -65.34 152.51 43.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.541 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.52 ' HB2' ' O ' ' B' ' 49' ' ' ASP . 30.2 m80 71.79 9.56 6.23 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.551 0.532 . . . . 0.0 110.567 -172.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.468 HG21 ' HG3' ' B' ' 52' ' ' LYS . 91.7 m -142.93 -62.76 0.42 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.206 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.468 ' HG3' HG21 ' B' ' 51' ' ' THR . 95.7 mttt -129.31 149.39 51.12 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.395 -0.19 . . . . 0.0 110.593 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 67.4 mtt -139.4 100.14 3.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.903 0.382 . . . . 0.0 111.227 178.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.46 163.41 34.01 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.757 ' HA ' ' HB2' ' B' ' 44' ' ' ARG . 48.3 pttt -161.26 -172.13 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.389 0.595 . . . . 0.0 111.901 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.627 ' CA ' ' HB ' ' A' ' 57' ' ' ILE . . . -145.99 -102.31 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.077 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.467 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 20.9 tt -152.65 144.39 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.194 0.521 . . . . 0.0 111.295 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 5.3 m -95.65 133.89 39.18 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.554 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.546 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 34.8 mt -110.61 142.07 42.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.531 ' HB2' ' OE1' ' B' ' 63' ' ' GLU . 3.6 m -84.31 175.5 9.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -55.61 -39.22 70.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.848 0.356 . . . . 0.0 111.081 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.14 -59.35 4.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.197 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.789 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 2.0 mp0 -56.06 -42.85 77.29 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 111.098 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.555 ' O ' ' HG3' ' B' ' 67' ' ' MET . 8.9 t80 -64.78 -52.16 58.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.261 -173.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -64.17 -33.49 75.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.061 0.458 . . . . 0.0 110.594 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.9 m -61.17 -46.01 92.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.555 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -71.34 -29.08 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -177.573 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.476 HG21 ' HB3' ' A' ' 71' ' ' PHE . 46.4 t -59.71 -58.99 4.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.935 0.398 . . . . 0.0 111.218 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.459 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 34.6 t70 -59.47 -43.53 93.21 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.151 0.501 . . . . 0.0 110.973 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.542 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -63.46 -50.0 71.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.937 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.482 ' HB3' HG11 ' A' ' 68' ' ' VAL . 11.0 m-85 -67.27 -26.23 66.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.535 0.207 . . . . 0.0 111.516 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 22.2 ttpp -59.14 -39.51 82.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.162 171.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.82 -35.15 7.35 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.389 -0.91 . . . . 0.0 113.267 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.71 -70.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.493 HD23 HG22 ' A' ' 68' ' ' VAL . 53.1 tp -71.67 -62.7 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.45 -42.69 58.66 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 58.0 t60 71.17 130.61 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.763 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -49.41 130.34 19.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.059 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -77.2 97.69 4.87 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.228 0.537 . . . . 0.0 111.448 -169.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -102.57 -13.79 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.783 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 55.01 167.6 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.975 1.31 . . . . 0.0 113.599 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--O 1.243 0.73 0 CA-C-O 118.356 -0.831 . . . . 0.0 109.866 178.126 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -74.85 72.78 2.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -155.08 11.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.685 172.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.3 ttm -117.75 -84.86 0.65 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.177 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 41.62 73.22 0.14 Allowed 'General case' 0 N--CA 1.466 0.364 0 O-C-N 124.033 0.833 . . . . 0.0 112.091 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 35.9 tt0 -101.2 -70.8 0.73 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.517 ' CD2' ' HG2' ' A' ' 6' ' ' GLU . 81.8 m-85 -136.03 153.65 51.29 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -86.57 149.13 25.16 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 33' ' ' SER . 36.6 p90 -154.59 154.84 33.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.152 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -158.39 146.56 18.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.569 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.516 HG12 HG23 ' A' ' 32' ' ' VAL . 59.2 mt -86.37 109.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.776 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.1 pt-20 -81.79 -43.26 18.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 8.5 tp10 -156.92 156.29 32.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.129 0.49 . . . . 0.0 111.562 -174.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -110.45 130.21 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.035 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD13 HG21 ' A' ' 29' ' ' ILE . 81.5 mt -72.86 -56.07 5.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.676 0.274 . . . . 0.0 110.545 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -158.54 152.21 23.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.503 HG21 ' HG2' ' A' ' 28' ' ' GLU . 19.9 m -89.93 128.21 36.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.55 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -87.23 -54.98 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.802 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -168.14 171.04 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.105 0.478 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -127.32 129.57 47.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.382 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -104.08 125.14 50.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.773 0.32 . . . . 0.0 111.216 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 58.45 29.96 19.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.556 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' NZ ' ' HB3' ' A' ' 23' ' ' LYS . 7.5 mtpm? 57.25 87.7 0.06 Allowed 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.455 0.472 . . . . 0.0 111.354 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' C ' ' HD3' ' A' ' 48' ' ' PRO . . . 140.36 -57.38 0.6 Allowed Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.424 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -73.49 97.66 2.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -96.0 137.73 34.64 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 -173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HZ1' ' CD ' ' B' ' 63' ' ' GLU . 37.9 ttpt -118.06 115.57 25.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.503 ' HG2' HG21 ' A' ' 17' ' ' THR . 39.4 mt-10 -137.47 169.83 17.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -175.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.507 HG21 HD13 ' A' ' 15' ' ' LEU . 57.9 mt -116.59 115.56 49.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -130.16 -178.49 4.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.899 0.381 . . . . 0.0 111.224 -173.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 31' ' ' ARG . 19.5 mtp180 -118.64 124.9 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.749 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.516 HG23 HG12 ' A' ' 11' ' ' ILE . 48.2 t -116.77 131.0 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.504 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.52 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 28.4 m -93.79 112.88 24.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.829 0.347 . . . . 0.0 110.44 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 36' ' ' GLY . 90.9 m-85 -100.51 132.1 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 72.97 -40.62 0.48 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.544 0.738 . . . . 0.0 112.181 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . 147.14 0.03 0.66 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.985 -174.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 159.57 72.35 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -71.61 54.52 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.166 2.577 . . . . 0.0 112.847 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.506 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . 67.74 158.14 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.892 0.853 . . . . 0.0 112.972 176.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -127.53 170.14 12.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -99.07 119.88 38.54 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.088 0.471 . . . . 0.0 110.806 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.9 122.03 41.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.499 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.528 HG21 HD11 ' B' ' 57' ' ' ILE . 56.6 mt -100.68 107.94 22.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm105 -136.42 139.75 42.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.259 0.552 . . . . 0.0 112.444 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -112.23 109.2 18.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.938 172.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -108.59 146.28 33.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.364 0.602 . . . . 0.0 111.67 -172.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.469 ' OG ' ' HD2' ' A' ' 48' ' ' PRO . 9.4 t -83.04 148.74 57.45 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.617 -178.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.469 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 9.8 Cg_endo -52.16 134.28 49.7 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.12 2.546 . . . . 0.0 112.928 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 67.53 17.47 10.0 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.641 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.9 p80 39.23 67.64 0.43 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.918 0.887 . . . . 0.0 113.147 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.0 m -127.87 -41.33 1.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.008 0.432 . . . . 0.0 110.783 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -84.04 -168.66 2.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.4 mtt -70.72 119.36 14.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.01 0.433 . . . . 0.0 111.5 -174.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -105.68 81.83 0.32 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 173.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -72.19 153.4 41.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.893 0.377 . . . . 0.0 111.236 -175.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -176.95 -175.34 44.17 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.833 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.7 tt -143.45 142.95 24.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -98.67 143.24 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.914 0.388 . . . . 0.0 111.362 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' HE3' ' B' ' 27' ' ' LYS . 57.6 mt -122.11 134.28 54.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.576 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 22.6 t -71.76 157.81 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.93 -49.02 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.585 0.231 . . . . 0.0 111.394 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.89 -41.55 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.909 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.576 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 41.8 mt-10 -62.58 -44.42 96.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.118 0.485 . . . . 0.0 110.069 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.512 ' O ' HG21 ' A' ' 68' ' ' VAL . 25.4 t80 -58.81 -50.09 75.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.918 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -59.28 -40.93 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -54.18 -51.1 65.42 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.679 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 21.9 ptt? -67.96 -37.33 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.333 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 64' ' ' PHE . 40.3 t -59.14 -52.16 63.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.51 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -71.1 -34.41 71.09 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.885 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.44 ' HB2' HD22 ' B' ' 16' ' ' LEU . . . -65.72 -50.86 63.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.974 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.496 ' HB3' HG12 ' B' ' 68' ' ' VAL . 46.2 m-85 -74.9 -17.37 60.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.693 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 66.2 tttm -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.47 -58.2 3.39 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.041 -0.982 . . . . 0.0 112.864 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -92.72 -178.68 4.93 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.694 -0.298 . . . . 0.0 110.723 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.67 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 15.5 tp 60.6 178.59 0.1 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.639 0.776 . . . . 0.0 111.282 177.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.67 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 3.4 tm-20 71.77 -52.33 0.69 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.099 0.56 . . . . 0.0 111.216 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.437 ' HD1' ' CD ' ' A' ' 76' ' ' GLU . 28.6 p-80 -120.49 83.57 2.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.592 0.71 . . . . 0.0 109.469 172.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -151.03 10.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.353 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -124.66 97.06 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.64 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -146.29 120.79 9.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.337 0.589 . . . . 0.0 110.469 172.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -75.17 139.43 42.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.525 -175.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.905 179.486 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.623 0.249 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttp 57.26 -103.31 0.18 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.087 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -171.2 129.32 0.73 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -82.7 94.97 7.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.806 0.813 . . . . 0.0 109.499 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.03 128.18 35.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.042 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.77 119.89 22.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.487 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -84.82 168.9 14.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.429 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -81.96 132.55 35.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.139 0.495 . . . . 0.0 111.6 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -136.89 119.8 16.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.857 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.82 141.31 42.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.253 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.444 HG13 HG22 ' B' ' 32' ' ' VAL . 3.4 mp -87.68 115.27 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.1 -23.84 15.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.546 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.02 133.72 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -94.98 142.51 27.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.436 HD13 HG21 ' B' ' 29' ' ' ILE . 92.7 mt -112.69 -69.09 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.447 HD12 HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -134.62 128.66 33.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.993 -170.024 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -98.32 105.13 17.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.447 HD21 HD12 ' B' ' 16' ' ' LEU . 67.9 mt -72.84 -74.4 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.52 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -163.57 160.18 22.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 110.735 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 64.6 tt0 -99.2 111.48 23.86 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -80.4 126.07 30.72 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 58.64 -160.23 0.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -105.52 91.46 3.78 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.725 -0.609 . . . . 0.0 110.008 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.17 -38.42 1.47 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.145 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.553 ' HH2' ' HA ' ' B' ' 52' ' ' LYS . 21.5 m95 -94.93 87.07 4.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.272 0.536 . . . . 0.0 111.808 -171.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 19.5 m -87.58 138.4 31.51 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.455 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.466 ' HE3' HD22 ' A' ' 59' ' ' LEU . 7.1 ttpm? -118.76 124.52 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.32 171.28 17.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.122 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.545 HG12 HG12 ' B' ' 43' ' ' ILE . 54.5 mt -121.22 133.87 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.174 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.404 ' C ' HD21 ' B' ' 30' ' ' ASN . 0.3 OUTLIER -149.9 164.01 36.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -178.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -91.85 120.68 32.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 0.0 110.667 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.444 HG22 HG13 ' B' ' 11' ' ' ILE . 79.3 t -103.02 121.36 54.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 1.8 m -87.2 113.81 23.26 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.297 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -91.45 154.98 18.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.959 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -34.12 113.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.284 0.99 . . . . 0.0 112.55 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.28 -81.53 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.24 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.601 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -174.0 -51.8 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.4 Cg_endo -52.29 112.17 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.948 2.432 . . . . 0.0 113.335 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -101.71 106.97 18.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.652 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.14 163.9 13.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.57 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 16.5 m-85 -83.19 114.14 21.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.519 ' OD1' ' HG2' ' B' ' 44' ' ' ARG . 15.0 t70 -126.48 142.37 51.56 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.945 0.402 . . . . 0.0 111.236 -171.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.545 HG12 HG12 ' B' ' 29' ' ' ILE . 52.8 mt -112.64 122.17 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.403 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.588 ' HD3' ' HA3' ' B' ' 56' ' ' GLY . 16.6 mmt180 -133.6 162.05 32.98 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.304 0.573 . . . . 0.0 111.357 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.49 137.93 45.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.794 169.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -127.25 140.34 37.62 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.911 -172.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.49 -52.21 0.05 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.115 1.877 . . . . 0.0 111.268 173.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -170.73 -164.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.468 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 32.5 m170 73.34 77.15 0.14 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.719 0.637 . . . . 0.0 112.338 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 47.8 p 45.37 99.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.553 ' HA ' ' HH2' ' B' ' 25' ' ' TRP . 30.0 mmtp -70.66 99.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.449 0.642 . . . . 0.0 110.518 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 87.6 mtp -107.92 98.49 8.06 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.12 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.85 176.06 21.1 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.574 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -145.73 -170.41 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.815 0.341 . . . . 0.0 110.261 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.588 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -134.63 169.11 23.29 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.528 HD11 HG21 ' A' ' 43' ' ' ILE . 20.8 tt -146.51 138.5 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 117.121 0.46 . . . . 0.0 110.88 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.3 m -101.7 135.74 42.73 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.555 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.49 124.9 46.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.722 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -76.13 179.39 5.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.57 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 47.2 t-20 -53.85 -54.3 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 111.129 -174.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.42 -36.39 73.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.224 -176.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.536 ' CD ' ' HZ1' ' A' ' 27' ' ' LYS . 43.3 mt-10 -65.21 -45.8 83.3 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.247 0.546 . . . . 0.0 110.332 -178.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.44 ' O ' ' HG3' ' B' ' 67' ' ' MET . 54.5 t80 -64.58 -47.1 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -59.16 -36.64 75.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.8 m -58.53 -51.09 71.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.273 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -68.88 -36.05 77.62 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.736 -176.599 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.496 HG12 ' HB3' ' A' ' 71' ' ' PHE . 54.3 t -62.15 -41.04 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.243 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.02 -45.13 71.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.868 0.366 . . . . 0.0 110.582 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.23 81.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.374 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.459 ' HB3' HG22 ' A' ' 68' ' ' VAL . 23.0 m-85 -84.74 -23.64 29.19 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.102 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.693 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 25.6 ttmt -62.17 -32.9 73.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.45 45.56 1.29 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.185 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -167.06 149.16 6.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.73 0.265 . . . . 0.0 111.087 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.486 HD23 HG23 ' A' ' 68' ' ' VAL . 40.4 tp 75.5 -40.27 0.41 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.41 89.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.281 0.563 . . . . 0.0 111.583 -173.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -150.02 98.87 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.393 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.19 -46.32 13.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.37 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -134.65 154.61 51.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.596 0.236 . . . . 0.0 110.486 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -108.71 131.27 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -129.13 92.0 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.395 0.617 . . . . 0.0 111.976 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 4.7 p80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.417 -0.802 . . . . 0.0 109.885 175.019 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -101.01 169.77 8.73 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.51 -53.16 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.055 0.455 . . . . 0.0 110.324 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.0 mtp -129.21 130.8 46.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.622 -176.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.3 135.85 35.73 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.32 88.23 4.97 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -84.06 -65.31 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.594 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.403 HG21 ' HA ' ' A' ' 35' ' ' ASN . 3.2 t -112.47 133.94 54.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.773 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -140.66 130.17 24.03 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.58 148.68 47.65 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.121 0.486 . . . . 0.0 111.149 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.0 mt -93.27 122.96 45.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.78 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -88.38 -42.88 11.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.867 0.365 . . . . 0.0 110.507 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.83 152.73 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.002 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.84 141.12 44.64 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -79.73 -61.96 1.83 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.047 0.451 . . . . 0.0 110.576 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.589 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 1.2 pt? -159.58 154.61 24.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.644 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 21.9 m -98.94 138.86 35.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.65 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 77.8 mt -98.09 -69.42 0.76 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -172.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -155.33 175.05 14.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.789 0.328 . . . . 0.0 111.226 -174.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 13.1 pt-20 -134.17 145.94 49.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.68 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.642 ' HB3' ' HB2' ' A' ' 25' ' ' TRP . 67.3 t30 -115.39 143.23 45.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.751 177.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 45.24 26.58 0.27 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.21 1.004 . . . . 0.0 112.765 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 56.94 22.78 7.52 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.826 0.45 . . . . 0.0 111.838 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.63 -32.15 0.26 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.671 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.642 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 11.3 m0 -91.06 97.0 10.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -87.8 136.69 32.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.701 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HD3' HD11 ' B' ' 57' ' ' ILE . 14.9 ttpp -130.92 127.85 39.32 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.101 -0.375 . . . . 0.0 110.582 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.644 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 17.1 pt-20 -160.55 -174.23 4.36 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.27 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.521 HG12 HG23 ' A' ' 43' ' ' ILE . 42.1 mt -123.29 125.97 72.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.269 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -142.14 169.01 18.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.966 0.412 . . . . 0.0 110.942 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.514 ' HD3' ' HB3' ' A' ' 39' ' ' ALA . 67.2 mtt-85 -89.53 131.48 35.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.28 129.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.585 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 66.7 m -109.62 119.01 38.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.86 120.08 39.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.696 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.403 ' HA ' HG21 ' A' ' 8' ' ' THR . 9.8 m120 51.86 31.07 7.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.289 0.566 . . . . 0.0 112.196 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.585 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . 167.49 -159.78 33.2 Favored Glycine 0 CA--C 1.503 -0.716 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.543 ' HA ' ' HB3' ' A' ' 33' ' ' SER . . . -133.98 69.43 74.91 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 117.929 0.865 . . . . 0.0 111.995 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 1.2 Cg_endo -85.18 -22.12 2.82 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.749 2.299 . . . . 0.0 110.589 168.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.514 ' HB3' ' HD3' ' A' ' 31' ' ' ARG . . . 47.84 63.96 1.82 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 114.581 -1.19 . . . . 0.0 112.234 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -82.28 160.26 22.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -89.21 120.16 30.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -114.67 131.46 56.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.923 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.521 HG23 HG12 ' A' ' 29' ' ' ILE . 39.5 mt -115.3 112.94 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.51 ' HA ' HD13 ' B' ' 57' ' ' ILE . 16.9 ptp180 -155.8 171.61 19.75 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.251 -177.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.64 143.66 33.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.03 174.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -108.48 125.68 52.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 t -125.22 155.72 70.85 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.333 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.16 109.66 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.214 1.943 . . . . 0.0 111.074 172.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -69.3 88.18 0.45 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.406 -171.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -144.48 -77.44 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.008 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.2 t -111.45 -16.28 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.435 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -135.99 149.25 48.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.888 0.375 . . . . 0.0 110.766 -176.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.1 mtt -133.65 157.85 44.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.496 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.49 141.25 18.79 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.255 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.44 160.82 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.405 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -178.33 -179.89 48.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.116 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.1 tt -157.03 135.14 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.01 0.433 . . . . 0.0 110.552 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -88.98 132.62 34.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.065 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.436 ' CD2' ' HD3' ' B' ' 27' ' ' LYS . 60.0 mt -114.01 146.03 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.8 p -86.93 171.83 10.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -59.17 -40.43 85.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.497 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 62' ' ' GLU . 1.5 mp0 -58.94 -55.62 32.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.502 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.455 ' CD ' ' HZ3' ' B' ' 27' ' ' LYS . 47.2 mt-10 -63.72 -45.21 90.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.038 -175.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' O ' ' HG2' ' A' ' 67' ' ' MET . 13.7 t80 -63.43 -47.66 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.819 -175.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -62.19 -39.02 91.32 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.8 m -54.91 -51.08 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.346 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.5 ptt? -64.52 -30.75 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.39 -177.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 64' ' ' PHE . 77.6 t -59.63 -51.73 69.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.614 0.245 . . . . 0.0 111.376 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -41.54 86.55 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.185 0.517 . . . . 0.0 110.92 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.64 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -65.22 -49.24 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.57 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 19.4 m-30 -64.45 -25.79 68.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.613 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.544 ' HD2' ' OE1' ' B' ' 76' ' ' GLU . 85.5 tttt -59.75 -46.57 88.73 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.49 28.14 6.55 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.154 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.457 ' HB2' ' HA ' ' A' ' 71' ' ' PHE . 3.6 m-80 -137.19 -51.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.602 0.239 . . . . 0.0 111.592 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.564 ' HG ' ' NE2' ' B' ' 65' ' ' GLN . 49.1 tp -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -167.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -160.42 155.26 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -99.47 -80.46 0.47 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.891 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 58.44 25.57 13.12 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.003 0.43 . . . . 0.0 110.585 177.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 63.45 100.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.211 -173.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -103.32 154.82 18.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -120.92 -171.59 2.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.1 p80 . . . . . 0 C--O 1.248 0.975 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.937 173.449 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.747 ' HD3' ' HE2' ' B' ' 7' ' ' PHE . 41.8 mtpt -74.15 145.77 44.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.917 0.389 . . . . 0.0 111.07 -172.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.559 ' HG3' ' HG2' ' B' ' 4' ' ' MET . 19.1 ptpt -102.63 -35.26 8.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.322 -174.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.559 ' HG2' ' HG3' ' B' ' 3' ' ' LYS . 25.5 mmt -94.8 15.63 17.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.267 0.556 . . . . 0.0 111.111 -175.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.9 94.46 1.97 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.373 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -81.52 75.01 8.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.024 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.747 ' HE2' ' HD3' ' B' ' 2' ' ' LYS . 84.1 m-85 -58.63 -78.06 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.3 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m -126.31 126.34 43.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.071 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.465 ' HB2' HG12 ' B' ' 32' ' ' VAL . 26.2 p90 -108.03 119.37 39.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.758 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.502 ' HB2' ' OG ' ' B' ' 33' ' ' SER . 14.0 mm-40 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -176.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.46 HD11 ' N ' ' B' ' 11' ' ' ILE . 3.6 mp -80.55 108.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.532 ' HG3' ' HB3' ' B' ' 39' ' ' ALA . 22.8 mm-40 -85.66 -46.22 10.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.528 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -162.82 152.54 15.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.186 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 14.3 p80 -107.53 131.65 54.1 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.715 171.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.894 HD22 HG22 ' B' ' 29' ' ' ILE . 2.9 mm? -60.73 -62.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.64 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -172.53 153.59 2.9 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 175.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.825 HG23 ' HG2' ' B' ' 28' ' ' GLU . 35.3 m -83.31 122.14 28.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.469 HD11 HD12 ' B' ' 29' ' ' ILE . 66.5 mt -71.76 -71.46 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.501 0.191 . . . . 0.0 111.008 -176.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -163.06 162.6 25.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.26 123.73 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.236 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -95.2 152.96 17.9 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.1 mp0 -53.08 156.39 2.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.481 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' B' ' 22' ' ' GLU . 68.5 mttm 77.37 6.9 2.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.359 -173.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.64 75.22 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.173 174.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.423 ' CZ2' ' HB3' ' B' ' 47' ' ' SER . 33.3 m95 -80.21 102.96 9.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.283 0.563 . . . . 0.0 110.223 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -88.91 137.7 32.08 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.292 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.455 ' HZ3' ' CD ' ' A' ' 63' ' ' GLU . 39.2 ttmt -113.36 116.03 29.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.825 ' HG2' HG23 ' B' ' 17' ' ' THR . 46.4 mt-10 -131.63 170.13 15.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.877 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.894 HG22 HD22 ' B' ' 15' ' ' LEU . 41.4 mt -131.02 129.3 63.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.242 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.3 OUTLIER -149.08 169.28 21.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 82.4 mtp180 -108.28 121.56 45.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.967 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' B' ' 9' ' ' PHE . 39.5 t -121.99 135.02 63.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 -177.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.502 ' OG ' ' HB2' ' B' ' 10' ' ' GLU . 7.0 p -93.85 135.09 35.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -111.04 101.98 10.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.965 -176.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.479 ' HB3' ' HB2' ' B' ' 7' ' ' PHE . 5.2 p30 41.75 52.11 4.05 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.301 1.001 . . . . 0.0 111.189 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.99 -164.96 13.17 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.386 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.81 165.0 0.12 Allowed Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 122.805 0.442 . . . . 0.0 111.59 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.532 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 29.6 Cg_endo -64.31 158.29 49.63 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.109 1.872 . . . . 0.0 111.748 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.532 ' HB3' ' HG3' ' B' ' 12' ' ' GLU . . . -69.19 110.62 4.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.041 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.7 mttt -81.1 152.54 27.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.467 ' HZ ' HD11 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -95.73 128.91 43.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.137 -175.639 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -133.57 149.0 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.202 0.525 . . . . 0.0 111.086 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.589 HG22 HG12 ' B' ' 29' ' ' ILE . 19.9 mt -110.9 109.83 29.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 ptm85 -123.88 161.83 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -166.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' B' ' 55' ' ' LYS . . . -136.76 106.77 6.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.394 175.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . 0.438 ' HE3' ' O ' ' B' ' 47' ' ' SER . 56.6 p-90 -108.24 144.09 36.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.386 0.613 . . . . 0.0 111.949 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.438 ' O ' ' HE3' ' B' ' 46' ' ' TRP . 7.3 p -74.43 157.51 86.26 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.211 177.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.05 -43.59 51.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.771 2.314 . . . . 0.0 111.692 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -106.88 142.1 37.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -81.76 16.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.805 0.336 . . . . 0.0 111.347 -174.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.2 m -72.33 -31.75 65.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.324 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.462 ' HE2' ' HB3' ' B' ' 52' ' ' LYS . 32.2 mtpt -94.11 166.59 12.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.324 0.583 . . . . 0.0 111.882 -175.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 86.6 mtp -75.51 107.23 7.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.021 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.45 147.64 42.57 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.006 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.408 ' HB2' ' HB3' ' B' ' 45' ' ' ALA . 34.4 mmtp -95.44 166.67 11.75 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.12 163.78 12.41 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.973 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 44' ' ' ARG . 10.9 tt -133.38 134.15 57.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -100.68 132.04 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.846 0.355 . . . . 0.0 110.65 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.443 ' HB2' ' CD2' ' B' ' 41' ' ' PHE . 4.7 mp -126.5 168.11 14.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.907 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -94.76 172.57 8.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.985 0.421 . . . . 0.0 110.575 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -73.46 -33.9 65.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.876 -173.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.48 -58.7 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.467 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.65 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 12.5 pt-20 -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.421 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.612 ' O ' HG22 ' B' ' 68' ' ' VAL . 2.1 t80 -56.36 -52.01 66.17 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . 0.566 ' HA ' HE21 ' B' ' 65' ' ' GLN . 0.0 OUTLIER -65.69 -37.21 85.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 178.064 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' B' ' 63' ' ' GLU . 79.4 m -52.97 -50.03 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.266 176.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.473 ' HE1' ' CD1' ' B' ' 64' ' ' PHE . 13.6 ptt? -74.47 -38.44 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.174 -176.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.612 HG22 ' O ' ' B' ' 64' ' ' PHE . 84.3 t -53.68 -48.5 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.558 0.218 . . . . 0.0 110.418 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.95 -43.95 91.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.153 0.502 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.35 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -89.8 -0.84 57.8 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.968 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 1.3 mmpm? -75.29 -30.09 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 165.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.57 -51.36 3.69 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.38 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' B' ' 75' ' ' LEU . 64.3 t30 -97.88 144.41 27.48 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.446 ' HB3' ' H ' ' B' ' 76' ' ' GLU . 5.1 mp 67.56 -161.46 0.22 Allowed 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.017 0.527 . . . . 0.0 110.128 -172.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' A' ' 72' ' ' LYS . 31.4 tt0 72.35 -61.91 0.48 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.897 0.748 . . . . 0.0 110.286 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -99.18 107.54 19.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.724 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.11 173.04 11.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.252 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -90.93 94.92 9.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.711 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -135.94 -67.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.41 0.624 . . . . 0.0 109.507 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -173.5 114.29 0.23 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.56 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.316 -175.789 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -95.9 103.13 15.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 172.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -91.81 137.98 31.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.104 -171.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ttt -90.0 -36.4 14.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.187 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.81 91.68 7.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.896 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -73.88 -58.29 3.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.978 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -76.8 113.66 14.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.656 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.5 m -97.21 117.27 31.04 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.749 -176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -105.05 119.93 40.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' CG ' ' HB3' ' A' ' 33' ' ' SER . 8.6 pt-20 -108.0 119.99 41.04 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.295 0.569 . . . . 0.0 111.443 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.51 ' HA ' HG21 ' A' ' 32' ' ' VAL . 4.2 mp -85.65 91.4 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -90.19 -30.66 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.666 -173.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.456 ' CD ' HH21 ' A' ' 31' ' ' ARG . 36.2 tt0 -142.9 128.19 18.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.966 0.412 . . . . 0.0 111.296 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -92.76 101.63 14.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.03 -54.85 35.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 112.075 -173.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' B' ' 67' ' ' MET . 0.8 OUTLIER -149.5 114.71 5.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -172.08 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m -88.83 102.52 15.11 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' B' ' 63' ' ' GLU . 92.0 mt -74.1 -74.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -157.68 151.66 24.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.228 0.537 . . . . 0.0 111.649 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.06 115.94 26.98 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.111 170.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.57 165.02 12.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.492 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 65.13 -71.34 0.08 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.922 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . 36.6 ttmt -168.98 -61.28 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.12 17.28 7.11 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.905 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.455 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 65.9 m95 -97.86 101.62 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.857 0.361 . . . . 0.0 110.465 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.8 m -86.57 137.71 32.29 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.053 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -114.42 115.84 27.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.574 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -148.67 154.38 39.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.1 -171.778 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.574 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 62.1 mt -100.03 123.39 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.951 176.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -123.46 166.8 14.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.23 0.538 . . . . 0.0 111.435 -174.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.456 HH21 ' CD ' ' A' ' 13' ' ' GLU . 53.6 ttp85 -122.82 107.16 11.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.093 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 11' ' ' ILE . 69.9 t -122.65 136.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.821 -170.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.448 ' HB3' ' CG ' ' A' ' 10' ' ' GLU . 48.4 t -88.0 118.45 27.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.03 82.34 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.5 t30 53.31 26.07 4.98 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.268 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.92 174.49 25.81 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.033 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 71.05 153.12 0.14 Allowed Pre-proline 0 N--CA 1.467 0.393 0 C-N-CA 123.229 0.611 . . . . 0.0 111.12 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.16 40.11 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.104 2.536 . . . . 0.0 113.316 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' HB3' ' HG2' ' A' ' 31' ' ' ARG . . . 67.81 114.43 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.47 0.708 . . . . 0.0 111.52 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -95.12 178.7 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.468 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -99.03 129.55 45.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.541 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 33.7 t70 -135.14 130.31 35.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.992 0.425 . . . . 0.0 110.404 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.569 HG22 HD12 ' B' ' 57' ' ' ILE . 54.7 mt -107.95 104.6 17.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 10.2 ttp180 -136.49 169.74 17.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.463 0.649 . . . . 0.0 111.977 -170.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.88 146.56 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.055 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.455 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 84.7 m95 -115.81 133.67 55.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.324 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 p -81.4 166.35 38.77 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.483 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.0 65.38 0.97 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.481 2.121 . . . . 0.0 111.092 170.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t70 66.89 -171.29 0.19 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.533 -173.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 66.42 109.99 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.958 0.503 . . . . 0.0 110.207 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -46.92 109.28 0.19 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.868 0.842 . . . . 0.0 112.422 -175.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -153.11 150.68 29.35 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.501 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.48 175.77 9.33 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.99 -107.38 0.23 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.216 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -71.14 119.78 15.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.108 0.48 . . . . 0.0 110.379 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 173.12 156.77 13.41 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.577 -176.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.544 ' HA ' ' HB3' ' B' ' 55' ' ' LYS . 10.9 tt -156.14 139.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 111.64 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.5 133.74 35.63 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.302 0.573 . . . . 0.0 111.225 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.8 mt -119.28 143.38 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.024 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 t -93.6 -173.25 3.13 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.24 -35.64 81.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.854 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.87 -57.97 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.251 -176.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.581 ' HG3' ' HB3' ' B' ' 19' ' ' SER . 1.8 mp0 -56.43 -44.32 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 0.0 111.057 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 68' ' ' VAL . 2.5 t80 -61.84 -53.4 56.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.729 -175.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.667 ' HG2' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.38 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.394 -179.505 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -61.22 -49.45 77.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 24.7 ptt? -61.95 -41.31 97.84 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.61 0.243 . . . . 0.0 110.463 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.681 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 89.7 t -54.5 -53.07 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.9 -48.67 77.96 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.049 0.452 . . . . 0.0 111.31 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.497 ' CB ' HD13 ' B' ' 16' ' ' LEU . . . -62.97 -36.25 82.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.898 -176.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 17.9 m-85 -72.8 -24.7 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.357 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.681 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 26.0 mmtp -66.92 -32.28 73.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.515 0.674 . . . . 0.0 109.433 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.02 26.2 25.37 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.636 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.09 -67.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD21 HG23 ' B' ' 68' ' ' VAL . 12.2 tp -88.53 -16.93 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.936 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 9.9 tp10 -69.23 103.48 1.95 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 110.394 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -139.17 117.45 11.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.64 -77.8 0.24 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.487 -176.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -165.42 148.98 8.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.191 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -133.96 78.77 1.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 171.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -78.45 132.11 37.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.898 -173.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 78.2 m80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.345 173.144 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.4 mtt . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.022 0.439 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -124.98 103.86 8.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -103.91 116.8 32.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.306 0.574 . . . . 0.0 111.788 -172.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.37 -169.94 2.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.308 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.39 73.86 9.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.099 0.476 . . . . 0.0 110.798 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -126.28 -176.48 3.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.387 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -123.04 170.48 10.12 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.806 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -96.94 161.28 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.986 0.422 . . . . 0.0 111.006 -172.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -117.73 139.43 51.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.98 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.05 116.95 26.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.765 0.317 . . . . 0.0 110.632 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.521 HG12 HG23 ' B' ' 32' ' ' VAL . 37.7 mt -83.34 93.03 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.92 -27.14 25.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.59 143.95 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 111.024 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -117.66 114.55 23.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.497 HD12 HG21 ' B' ' 29' ' ' ILE . 29.7 mt -68.38 -58.25 4.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.993 -175.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.497 HD13 ' CB ' ' A' ' 70' ' ' ALA . 1.1 pt? -167.88 140.67 3.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.115 0.483 . . . . 0.0 110.801 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.615 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 21.5 m -80.04 123.54 27.93 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 169.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.555 HD13 HG13 ' B' ' 29' ' ' ILE . 78.9 mt -78.06 -71.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.873 0.368 . . . . 0.0 111.417 -171.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.581 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 35.0 t -158.27 159.16 35.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.185 -176.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -112.48 111.44 22.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -90.64 177.13 6.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.979 -174.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.0 mp0 -50.78 146.92 5.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.81 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.563 ' HB2' ' HD1' ' B' ' 25' ' ' TRP . 34.7 mmtp 76.38 -5.94 2.09 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.206 0.942 . . . . 0.0 111.371 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.07 24.89 15.61 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.804 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.563 ' HD1' ' HB2' ' B' ' 23' ' ' LYS . 55.3 m95 -83.16 106.08 14.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' B' ' 46' ' ' TRP . 8.8 m -87.04 139.18 30.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.507 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -113.24 123.19 49.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.615 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 39.2 tt0 -142.98 147.56 35.37 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.389 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.555 HG13 HD13 ' B' ' 18' ' ' LEU . 55.4 mt -114.74 114.35 46.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.432 174.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -134.36 175.87 9.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.287 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -116.22 121.14 41.18 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.521 HG23 HG12 ' B' ' 11' ' ' ILE . 16.0 t -124.26 134.52 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.546 -171.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.5 t -100.04 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.9 110.79 22.15 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.152 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 69.58 -57.84 0.53 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.795 0.685 . . . . 0.0 110.853 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.73 -158.99 15.63 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.491 ' HB2' ' HD2' ' B' ' 38' ' ' PRO . . . 70.73 165.99 0.13 Allowed Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.595 0.358 . . . . 0.0 111.228 177.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' B' ' 37' ' ' ALA . 70.9 Cg_exo -49.15 125.22 12.97 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.733 2.289 . . . . 0.0 112.553 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.51 126.02 25.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.54 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -102.39 169.49 8.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.548 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 43.1 m-85 -90.02 122.67 33.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.284 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.52 119.35 34.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.496 ' O ' ' HA2' ' B' ' 56' ' ' GLY . 53.6 mt -104.15 105.19 18.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -135.24 172.71 12.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 0.0 111.803 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.8 147.29 38.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.132 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' TRP . . . . . 0.484 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 91.6 m95 -107.73 134.19 51.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 -179.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 7.4 m -93.08 150.07 38.6 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 -177.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 47' ' ' SER . 4.0 Cg_exo -75.65 41.16 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.361 2.707 . . . . 0.0 111.598 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.439 ' OD1' ' HE2' ' B' ' 52' ' ' LYS . 8.7 m-20 -150.19 -165.93 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.867 -176.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -81.53 44.17 0.79 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 65.2 m 69.58 104.78 0.06 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.936 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.439 ' HE2' ' OD1' ' B' ' 49' ' ' ASP . 67.6 mttm -77.34 -68.09 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 171.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 63.2 ttp 178.4 -63.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.686 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.14 -135.85 24.61 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.793 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.544 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 99.1 mttt -136.07 160.17 39.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' B' ' 43' ' ' ILE . . . 178.62 149.7 8.32 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.023 -177.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.569 HD12 HG22 ' A' ' 43' ' ' ILE . 14.9 tt -145.02 140.58 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.1 p -96.32 126.81 41.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.176 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.8 mt -115.38 145.53 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.517 ' HB2' ' OE2' ' B' ' 63' ' ' GLU . 1.4 m -94.48 177.27 5.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.265 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.548 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 15.3 m120 -53.51 -44.31 69.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.398 -176.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.22 -50.05 20.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.517 ' OE2' ' HB2' ' B' ' 60' ' ' SER . 1.7 mp0 -59.8 -35.75 75.32 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.981 0.42 . . . . 0.0 110.406 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . 0.542 ' O ' ' HG2' ' B' ' 67' ' ' MET . 2.4 t80 -67.37 -48.15 68.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.733 -176.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.3 m -53.35 -44.99 68.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.441 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 14.8 ptt? -70.35 -31.63 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.966 -176.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.509 HG21 ' O ' ' B' ' 64' ' ' PHE . 94.8 t -57.88 -51.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.475 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' B' ' 72' ' ' LYS . 1.1 m-20 -62.45 -52.11 64.82 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.191 0.52 . . . . 0.0 111.577 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.527 ' HB3' HD12 ' A' ' 16' ' ' LEU . . . -62.44 -36.59 82.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.495 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -79.84 -4.59 52.84 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.437 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.624 ' HE2' ' HD2' ' A' ' 72' ' ' LYS . 15.1 ttmm -77.91 -28.16 49.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 164.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.56 -57.44 16.45 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.797 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -82.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.667 HD23 ' HG2' ' A' ' 65' ' ' GLN . 5.9 mp -76.07 158.72 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.181 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' B' ' 75' ' ' LEU . 20.9 tt0 167.63 -45.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 170.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 8.1 t60 63.32 46.09 4.63 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.145 174.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -83.88 27.34 0.65 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.696 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -110.69 172.45 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -110.63 111.01 21.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.485 0.659 . . . . 0.0 109.626 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -77.83 -29.65 50.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.287 177.61 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.447 -0.576 0 CA-C-O 121.149 0.5 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -106.29 126.5 52.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.562 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -142.57 133.44 25.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.546 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.0 mt -90.14 99.78 10.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.054 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.87 -20.59 30.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.998 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -139.94 115.43 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.204 0.526 . . . . 0.0 111.352 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -95.08 109.36 21.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.086 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 HG22 ' A' ' 29' ' ' ILE . 96.9 mt -66.55 -69.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.662 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.5 pt? -165.35 152.06 10.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.672 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 37.9 m -88.06 128.03 35.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.464 171.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -76.44 -64.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -156.27 160.09 39.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.093 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -111.99 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -87.86 144.11 26.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.507 -169.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG3' ' HG2' ' A' ' 23' ' ' LYS . 9.7 tp10 61.54 -91.53 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.073 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HG2' ' HG3' ' A' ' 22' ' ' GLU . 14.0 pttm -176.36 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.367 0.667 . . . . 0.0 109.632 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.68 -12.98 6.19 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.877 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -93.25 83.1 4.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.848 0.356 . . . . 0.0 110.342 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 m -85.84 136.68 33.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -130.01 117.55 20.22 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.672 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 17.9 pt-20 -148.9 174.81 11.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.28 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.58 HG22 HD12 ' A' ' 15' ' ' LEU . 40.9 mt -121.53 130.47 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.743 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -146.03 168.38 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.784 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 31.6 mtm180 -105.77 123.16 47.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.966 0.412 . . . . 0.0 110.566 175.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 49.4 t -101.28 126.78 55.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 1.8 m -89.68 108.33 19.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.948 178.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 96.6 m-85 -88.23 114.14 24.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 49.0 m-80 78.11 -38.21 0.24 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.047 0.842 . . . . 0.0 110.991 -175.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.52 -65.37 0.33 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.754 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -69.3 -52.85 14.41 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -72.31 87.62 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.397 2.065 . . . . 0.0 112.478 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -107.85 102.26 11.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.879 176.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -116.64 179.32 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.01 -177.064 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.454 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 38.3 m-85 -82.19 135.71 35.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.349 -169.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 21.5 t70 -137.47 126.56 24.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.078 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.401 HG23 HG12 ' A' ' 29' ' ' ILE . 52.6 mt -104.02 107.34 22.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.562 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 12.1 ttm-85 -133.73 144.53 49.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.184 0.516 . . . . 0.0 111.798 -169.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.0 134.02 47.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.557 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -107.49 143.86 35.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -177.666 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' A' ' 44' ' ' ARG . . . 81.54 103.85 0.37 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.495 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.532 ' HB ' ' O ' ' B' ' 55' ' ' LYS . 13.7 tt -120.79 128.93 76.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.325 0.583 . . . . 0.0 111.042 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.3 m -93.51 134.73 35.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.582 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.2 mt -117.83 144.94 44.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.6 p -83.55 164.08 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.802 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.454 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 8.2 t30 -56.45 -45.19 80.96 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.795 -176.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.77 -49.78 73.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.361 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.647 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.477 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 23.3 t80 -67.66 -44.81 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.42 -37.64 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.294 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.2 m -58.69 -53.18 61.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.491 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -64.6 -38.15 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.58 HG21 HD23 ' B' ' 75' ' ' LEU . 79.4 t -61.7 -42.68 95.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.121 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.64 -49.5 77.28 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.0 -45.16 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.673 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.515 ' HB3' HG13 ' B' ' 68' ' ' VAL . 18.5 m-85 -71.79 -24.86 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.314 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.965 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 83.6 tttt -69.56 -33.57 72.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.71 -4.97 87.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.913 -176.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -155.54 -161.27 1.14 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.657 0.728 . . . . 0.0 110.886 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.518 ' CD2' HG21 ' B' ' 68' ' ' VAL . 29.9 tp 71.14 -32.15 0.24 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.67 1.188 . . . . 0.0 113.036 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.483 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -110.36 138.67 46.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.735 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 149.16 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.614 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.2 106.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.253 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -60.1 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.836 -177.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -135.16 131.19 36.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.5 117.44 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' B' ' 29' ' ' ILE . 68.5 mt -94.32 -71.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.108 -177.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 69.0 mt -132.54 137.88 47.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.0 m -106.08 100.75 10.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 171.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.08 -67.74 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.149 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -172.06 155.76 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -106.5 120.52 42.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -114.96 172.31 7.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.387 -168.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 52.78 -111.01 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.853 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -135.38 89.13 2.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 7.46 88.44 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.853 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -85.11 97.98 10.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -87.44 136.69 32.84 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.997 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -129.56 120.8 25.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.962 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 4.1 pt-20 -147.97 -175.76 5.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.145 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 65.7 mt -130.97 118.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.467 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -147.63 179.07 7.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 46.5 mtm180 -107.28 121.11 43.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.515 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 42.7 t -106.18 132.46 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.4 p -97.21 133.96 41.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.479 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.54 98.23 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 62.13 90.86 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.271 0.558 . . . . 0.0 111.622 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLY . . . . . 0.533 ' C ' ' HD3' ' B' ' 38' ' ' PRO . . . 101.82 -140.13 14.73 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -176.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.614 ' N ' ' HD3' ' B' ' 38' ' ' PRO . . . -126.5 50.58 5.06 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.614 ' HD3' ' N ' ' B' ' 37' ' ' ALA . 20.0 Cg_endo -95.5 52.58 0.19 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.922 2.415 . . . . 0.0 110.706 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' B' ' 32' ' ' VAL . . . -71.34 104.49 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.613 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 32.4 mmtp -101.42 171.56 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.443 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -83.5 116.43 22.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.236 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -116.14 115.96 26.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -176.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.66 103.62 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.562 ' CB ' ' HA3' ' B' ' 56' ' ' GLY . 21.9 ttm105 -147.08 148.69 31.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.429 0.633 . . . . 0.0 112.452 -169.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.19 132.88 35.81 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.898 -1.047 . . . . 0.0 108.79 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -107.24 132.98 52.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 120.984 0.421 . . . . 0.0 110.012 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.509 -176.637 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.532 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 24.5 mmmt . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.712 0.291 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLY . . . . . 0.562 ' HA3' ' CB ' ' B' ' 44' ' ' ARG . . . -56.49 147.15 32.63 Favored Glycine 0 CA--C 1.517 0.157 0 CA-C-N 115.999 -0.546 . . . . 0.0 114.255 -173.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 19.1 tt -123.07 140.3 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.07 0.462 . . . . 0.0 110.511 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -99.4 134.71 41.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.6 mt -123.88 141.59 51.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.527 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.448 ' HA ' ' HD2' ' B' ' 40' ' ' LYS . 11.3 t -83.48 166.71 18.09 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -57.44 -43.85 84.23 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.94 -49.51 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.655 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.95 -40.97 83.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.383 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.412 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 17.8 t80 -62.56 -48.54 79.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.532 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -59.86 -36.99 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.4 m -57.61 -52.64 64.58 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.342 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.572 ' HA ' HD11 ' A' ' 16' ' ' LEU . 13.0 ptt? -63.68 -37.62 88.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.933 0.397 . . . . 0.0 110.387 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.518 HG21 ' CD2' ' A' ' 75' ' ' LEU . 49.2 t -64.61 -45.09 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.568 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.89 -41.18 97.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.441 . . . . 0.0 110.68 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.51 -53.53 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.05 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.4 m-85 -67.93 -30.17 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.693 0.282 . . . . 0.0 110.721 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.965 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 21.4 ttmm -54.71 -42.79 71.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.818 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.25 -14.49 41.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.383 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -100.42 -71.36 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -174.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.58 HD23 HG21 ' A' ' 68' ' ' VAL . 29.5 tp -67.39 -42.72 82.85 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -169.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.91 118.62 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.205 0.526 . . . . 0.0 110.112 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 10.8 mm-40 -108.91 119.78 40.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.763 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.77 96.27 6.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -101.89 -35.91 8.84 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.603 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -127.33 122.83 34.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 0.0 112.484 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -93.99 111.74 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.347 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 29' ' ' ILE . 94.8 mt -71.34 -53.81 12.91 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.57 145.33 1.2 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.53 170.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.879 HG23 ' HG2' ' A' ' 28' ' ' GLU . 89.3 m -89.95 119.6 30.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.46 173.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.62 -73.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.811 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.459 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 74.4 m -164.35 159.43 19.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.323 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 45.9 tt0 -90.14 103.7 16.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 167.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -82.61 123.29 29.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.147 0.499 . . . . 0.0 111.747 -168.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 43.01 -88.06 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.288 1.435 . . . . 0.0 114.424 171.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -89.18 23.92 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -172.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.86 3.1 62.39 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.201 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -76.96 110.3 11.48 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -85.62 137.41 32.87 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.171 0.51 . . . . 0.0 111.022 -173.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HG2' ' CD2' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -113.52 116.12 29.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.414 176.433 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.879 ' HG2' HG23 ' A' ' 17' ' ' THR . 31.8 mt-10 -132.66 146.99 52.32 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.667 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.534 HG22 HD12 ' A' ' 15' ' ' LEU . 58.4 mt -111.95 118.89 58.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -137.9 178.57 7.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.987 0.422 . . . . 0.0 110.763 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.26 158.61 22.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 21.4 t -145.61 124.55 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 123.171 0.294 . . . . 0.0 111.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 68.4 m -79.95 130.87 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.881 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 94.2 m-85 -114.67 155.71 26.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.602 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.73 105.23 0.24 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.155 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.31 63.11 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 34' ' ' PHE . . . -146.98 138.65 13.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.661 0.231 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.59 166.18 22.84 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.404 2.069 . . . . 0.0 111.904 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -66.26 95.43 0.3 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 111.043 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -95.24 175.23 6.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.89 142.61 27.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.105 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -138.08 124.94 21.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.482 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.588 HG22 HD13 ' B' ' 57' ' ' ILE . 36.3 mm -91.07 107.11 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 174.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -110.8 122.12 47.05 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -163.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.64 111.96 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.063 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -123.79 147.25 47.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.142 0.496 . . . . 0.0 111.014 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.208 -177.811 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 32.1 mmtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.041 0.448 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' B' ' 55' ' ' LYS . . . -60.3 139.6 48.21 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.123 177.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 tt -126.21 135.2 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.07 0.462 . . . . 0.0 111.253 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.7 p -84.17 142.53 30.27 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.574 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.1 mt -124.54 138.55 54.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.112 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -84.72 172.58 11.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.56 -49.61 75.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.268 . . . . 0.0 110.759 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.94 -54.49 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.234 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 31.9 mt-10 -65.88 -45.35 82.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.125 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HD2' HD22 ' B' ' 75' ' ' LEU . 17.2 t80 -67.2 -43.71 81.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.972 -175.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.11 -41.05 97.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.489 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.8 m -57.84 -45.75 85.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.493 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.533 ' HG3' ' HE2' ' A' ' 71' ' ' PHE . 58.6 ttp -55.93 -54.34 45.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.1 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.578 HG13 ' HB3' ' B' ' 71' ' ' PHE . 65.0 t -55.03 -58.99 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.813 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -70.84 -30.09 66.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.506 -171.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -56.75 16.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.548 ' HB3' HG22 ' B' ' 68' ' ' VAL . 55.0 m-85 -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.077 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.615 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 86.7 tttt -54.09 -41.35 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 176.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.13 -28.14 11.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.174 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -86.97 -66.13 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.82 HD23 HG21 ' B' ' 68' ' ' VAL . 34.9 tp -68.63 -37.67 79.9 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.508 -172.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HG2' ' HE2' ' B' ' 72' ' ' LYS . 7.5 tp10 . . . . . 0 C--N 1.324 -0.521 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.462 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' B' ' 33' ' ' SER . 19.5 p90 -103.95 126.33 50.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -129.23 147.59 51.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.505 HG12 HG22 ' B' ' 32' ' ' VAL . 72.1 mt -90.27 110.63 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.447 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -80.0 -53.66 6.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.009 0.433 . . . . 0.0 110.841 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.24 128.64 53.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.486 -173.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -95.23 90.7 5.96 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.173 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.549 HD12 HG22 ' B' ' 29' ' ' ILE . 93.0 mt -55.53 -76.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.488 0.492 . . . . 0.0 112.147 -172.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.29 155.64 29.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.526 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.705 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 47.7 m -92.26 133.1 36.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.065 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' B' ' 28' ' ' GLU . 84.5 mt -85.62 -47.6 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.124 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.471 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 4.5 t -163.84 154.09 15.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.616 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -128.63 125.3 37.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.805 0.336 . . . . 0.0 110.55 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -115.01 150.1 36.37 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 64.61 -96.87 0.05 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.045 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -166.34 22.7 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.46 -23.03 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.095 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -80.45 81.5 6.69 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 26.3 m -109.39 137.89 46.57 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.533 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -115.58 124.05 49.99 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.705 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 16.2 pt-20 -161.44 -174.77 4.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.885 0.374 . . . . 0.0 111.408 -174.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.549 HG22 HD12 ' B' ' 15' ' ' LEU . 42.1 mt -126.81 133.47 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.039 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -140.32 174.82 10.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.05 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -111.87 131.77 55.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.505 HG22 HG12 ' B' ' 11' ' ' ILE . 59.4 t -127.0 133.5 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.429 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 69.6 m -106.4 135.64 47.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -102.46 97.39 7.63 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 69.94 -56.29 0.58 Allowed 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.912 0.757 . . . . 0.0 110.815 -172.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.04 -152.74 6.93 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 71.38 164.52 0.14 Allowed Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 124.098 0.528 . . . . 0.0 111.122 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -49.8 124.08 11.78 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.869 2.379 . . . . 0.0 112.561 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.13 121.97 16.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.883 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -86.54 170.93 11.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -94.27 146.3 24.12 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.635 ' OD2' ' HD2' ' B' ' 44' ' ' ARG . 27.1 t70 -139.44 121.88 16.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.824 -176.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.513 HG12 HG12 ' B' ' 29' ' ' ILE . 55.2 mt -103.76 113.53 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.635 ' HD2' ' OD2' ' B' ' 42' ' ' ASP . 9.5 ptm85 -142.36 161.42 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.448 0.642 . . . . 0.0 112.473 -171.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.77 113.95 24.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.33 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -107.85 168.67 9.11 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.559 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.671 -172.906 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.533 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 96.3 mttt . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.976 0.417 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.26 139.17 6.37 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.588 HD13 HG22 ' A' ' 43' ' ' ILE . 11.7 tt -127.71 127.83 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.368 0.604 . . . . 0.0 111.467 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.9 p -90.58 133.39 35.12 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.472 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 27' ' ' LYS . 94.5 mt -119.45 137.78 53.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.214 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 14.4 m -79.39 167.85 20.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.202 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -59.33 -46.51 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.125 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -58.81 -45.48 89.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 36.3 mt-10 -63.28 -45.52 91.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.541 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.4 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 t80 -66.79 -40.53 88.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.026 -175.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.46 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.788 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 57.8 m -58.91 -44.96 91.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.55 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -55.16 -49.97 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.199 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.82 HG21 HD23 ' A' ' 75' ' ' LEU . 53.8 t -63.19 -44.43 99.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.595 -173.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.562 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 20.8 t70 -71.08 -40.39 71.59 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' B' ' 74' ' ' ASN . . . -61.35 -45.49 94.19 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.058 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.578 ' HB3' HG13 ' A' ' 68' ' ' VAL . 41.0 m-85 -80.89 -26.03 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.5 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.615 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 28.9 ttmt -48.5 -47.58 38.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.97 38.96 3.02 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.1 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.551 ' HB3' ' HA ' ' B' ' 71' ' ' PHE . 34.2 t-20 -137.93 -70.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.939 -177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.561 ' HB3' HG11 ' A' ' 68' ' ' VAL . 27.1 tp -95.49 63.72 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.504 0.669 . . . . 0.0 111.235 -172.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -112.95 129.13 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.025 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -128.12 130.87 48.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -86.05 114.16 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.845 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.476 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 70.5 mm-40 -84.44 -78.15 0.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.202 -176.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -127.61 132.93 49.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.783 -171.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -81.38 91.71 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -52.03 -47.97 64.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.494 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 29' ' ' ILE . 48.0 mt -146.52 135.71 22.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.342 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -105.88 97.61 7.41 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.69 -80.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.886 -169.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.0 m -159.54 173.41 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.191 0.52 . . . . 0.0 111.672 -172.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.37 142.66 46.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.387 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.491 ' HB2' ' HB2' ' A' ' 25' ' ' TRP . 5.1 m-20 -94.91 162.48 13.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.419 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -34.18 40.77 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 124.308 1.005 . . . . 0.0 113.106 -171.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.09 3.36 15.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.598 0.237 . . . . 0.0 111.544 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.32 32.2 23.31 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.302 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.491 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 27.4 m0 -98.84 141.45 31.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.302 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -105.86 138.38 42.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.84 0.353 . . . . 0.0 111.519 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 15.7 ttmm -129.41 118.78 22.73 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.48 169.0 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.383 0.611 . . . . 0.0 110.806 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.567 HG12 HG23 ' A' ' 43' ' ' ILE . 70.5 mt -117.95 124.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.446 ' H ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -146.64 172.27 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.269 0.557 . . . . 0.0 112.395 -170.458 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.52 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 46.9 mtt180 -97.69 130.45 44.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.321 174.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -122.52 120.59 61.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -94.61 125.8 39.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -98.73 93.44 6.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.049 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 66.95 -64.81 0.23 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.095 0.872 . . . . 0.0 110.726 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -126.07 3.2 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . 69.42 150.19 0.12 Allowed Pre-proline 0 N--CA 1.466 0.358 0 C-N-CA 123.004 0.521 . . . . 0.0 112.015 176.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 3.2 Cg_exo -77.87 38.63 0.69 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.313 2.675 . . . . 0.0 112.543 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . 65.32 106.1 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.366 0.603 . . . . 0.0 111.589 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 60' ' ' SER . 16.0 tptm -87.86 155.74 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.046 -175.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -88.01 126.43 35.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.464 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.62 128.96 27.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.626 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.567 HG23 HG12 ' A' ' 29' ' ' ILE . 62.0 mt -102.24 119.47 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -128.75 152.85 47.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.222 0.534 . . . . 0.0 112.183 -167.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB2' ' HG3' ' A' ' 27' ' ' LYS . . . -141.32 99.49 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 108.997 171.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -111.82 163.88 13.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.498 0.666 . . . . 0.0 111.707 -171.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.252 178.936 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' B' ' 55' ' ' LYS . . . 150.93 166.09 13.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.651 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 tt -156.9 140.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.018 0.437 . . . . 0.0 110.774 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -94.46 141.58 28.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.904 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.471 ' HB2' ' HD1' ' A' ' 64' ' ' PHE . 5.3 mp -125.14 146.01 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.544 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 4.2 m -84.45 165.31 18.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.794 175.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -48.19 64.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 122.98 0.175 . . . . 0.0 111.252 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.58 -52.47 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.127 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.428 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 32.3 mt-10 -61.82 -44.4 96.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.203 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' O ' ' HG2' ' A' ' 67' ' ' MET . 5.9 t80 -65.69 -47.51 75.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.539 -177.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.89 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 m -55.8 -50.35 70.74 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.624 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 19.3 ptt? -64.12 -37.28 86.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.271 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.603 HG21 HD22 ' B' ' 75' ' ' LEU . 41.6 t -56.5 -56.36 14.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.211 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.677 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 33.7 t70 -69.03 -36.06 77.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.778 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -48.91 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.193 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 16.4 m-85 -68.51 -43.92 75.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.974 -176.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 69' ' ' ASP . 23.5 pttp -73.23 -12.23 60.79 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.339 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.9 1.05 56.46 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.557 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -127.41 -52.81 1.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 111.262 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.572 HD23 HG21 ' B' ' 68' ' ' VAL . 47.5 tp -100.3 126.54 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 O-C-N 123.989 0.805 . . . . 0.0 109.887 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 33' ' ' SER . 43.3 p90 -123.28 145.28 48.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 178.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -146.36 128.88 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.499 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.558 HG12 HG22 ' B' ' 32' ' ' VAL . 57.2 mt -80.18 96.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.0 -36.54 19.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.561 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' B' ' 31' ' ' ARG . 33.5 tt0 -130.84 142.64 50.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -171.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.3 136.04 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.467 HD12 HG22 ' B' ' 29' ' ' ILE . 96.8 mt -90.54 -69.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.52 143.9 7.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.098 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.67 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 33.4 m -80.02 114.84 19.23 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.54 -69.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.251 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.428 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 69.2 m -163.42 155.17 17.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.946 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -82.75 145.66 29.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.492 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 8.3 m-20 -99.06 143.95 28.75 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 8.5 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -170.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -93.97 1.1 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.04 13.71 55.89 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.492 ' HB2' ' HB2' ' B' ' 21' ' ' ASN . 30.0 m0 -98.9 164.25 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -175.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -129.53 139.12 51.62 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.117 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -134.57 124.74 25.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.76 0.314 . . . . 0.0 110.42 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.67 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.0 pt-20 -151.28 -178.5 6.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.173 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 43' ' ' ILE . 48.1 mt -125.3 131.07 72.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.874 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -134.71 174.39 10.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.348 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.549 ' HB2' ' HB3' ' B' ' 13' ' ' GLU . 18.1 mtp180 -112.93 129.58 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.226 174.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.558 HG22 HG12 ' B' ' 11' ' ' ILE . 41.3 t -122.02 124.98 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 17.8 m -82.2 142.66 31.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -120.72 106.22 11.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.615 0.245 . . . . 0.0 111.134 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 61.02 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.266 0.626 . . . . 0.0 111.211 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.0 19.0 5.26 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.33 150.14 36.93 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.55 148.8 33.48 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.18 2.587 . . . . 0.0 112.532 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -62.65 117.97 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.997 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 98.3 mttt -94.63 175.0 6.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.012 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.58 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 93.0 m-85 -91.34 137.94 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.697 0.284 . . . . 0.0 110.762 -175.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -143.36 125.46 15.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.687 0.279 . . . . 0.0 110.561 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 29' ' ' ILE . 47.6 mt -98.13 123.03 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -139.37 146.95 40.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.262 0.553 . . . . 0.0 111.97 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.32 137.26 52.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.76 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -108.22 137.08 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.286 -174.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.252 -179.841 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.63 ' HB3' ' O ' ' A' ' 56' ' ' GLY . 57.0 mttp . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.41 156.73 8.44 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.463 HD13 HG22 ' A' ' 43' ' ' ILE . 8.6 tt -158.06 133.68 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.162 0.506 . . . . 0.0 111.768 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.1 m -95.63 144.93 25.65 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.114 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.64 147.31 48.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -83.07 164.96 19.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.58 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 5.8 p30 -57.36 -48.46 78.95 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.58 -39.26 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.499 0.19 . . . . 0.0 111.127 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.21 -43.69 95.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.564 0.697 . . . . 0.0 109.565 176.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.495 ' O ' ' HG3' ' B' ' 67' ' ' MET . 9.3 t80 -63.56 -50.18 70.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.366 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -53.22 -39.35 63.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.045 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -60.83 -48.74 80.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.343 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -72.59 -30.68 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.157 -176.705 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.572 HG21 HD23 ' A' ' 75' ' ' LEU . 74.4 t -62.57 -44.57 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.625 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.23 -47.61 85.26 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.237 0.542 . . . . 0.0 110.642 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.455 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -60.18 -47.33 86.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.557 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.456 ' HB3' HG22 ' A' ' 68' ' ' VAL . 22.9 m-85 -78.23 -9.19 59.1 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.156 0.503 . . . . 0.0 110.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.595 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 85.6 tttt -82.86 -21.6 34.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.62 -23.31 50.83 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.117 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -158.79 -167.45 2.13 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 117.342 0.571 . . . . 0.0 111.252 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.603 HD22 HG21 ' A' ' 68' ' ' VAL . 0.4 OUTLIER 74.54 1.77 3.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.877 0.871 . . . . 0.0 111.902 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 122.251 1.024 . . . . 0.0 110.119 172.249 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.633 0.254 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -112.75 130.97 55.88 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HB2' ' OG ' ' A' ' 33' ' ' SER . 72.6 mm-40 -122.84 122.22 38.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.41 HG12 HG22 ' A' ' 32' ' ' VAL . 70.3 mt -80.86 104.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.21 -65.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.498 0.666 . . . . 0.0 110.85 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -134.05 141.09 47.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.835 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -93.68 116.18 28.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 HG22 ' A' ' 29' ' ' ILE . 96.5 mt -65.58 -57.64 7.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.84 135.38 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.866 173.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 m -78.54 104.0 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.856 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 83.6 mt -56.44 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.346 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -171.1 -178.13 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.864 0.364 . . . . 0.0 110.031 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.29 117.36 15.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -112.75 154.2 26.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.904 0.383 . . . . 0.0 111.72 -171.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 60.34 21.72 11.24 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.018 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.6 tttt 60.72 86.18 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.317 0.647 . . . . 0.0 111.022 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.44 -43.52 1.45 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.285 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -72.26 99.67 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.2 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 8.4 m -87.03 138.16 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.445 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HD3' HD23 ' B' ' 59' ' ' LEU . 38.5 ttmt -123.37 121.69 36.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' H ' ' A' ' 18' ' ' LEU . 11.8 pt-20 -150.36 179.33 8.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.258 0.551 . . . . 0.0 111.929 -174.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.541 HG12 HG23 ' A' ' 43' ' ' ILE . 53.9 mt -130.6 120.41 48.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.471 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -143.7 -178.92 6.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.952 0.406 . . . . 0.0 111.289 -175.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 31' ' ' ARG . 12.9 mtp180 -106.3 119.38 39.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.911 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 11' ' ' ILE . 40.7 t -114.29 121.94 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.243 176.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 13.3 p -91.88 145.93 24.15 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -123.6 121.8 36.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.508 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 p30 47.33 30.75 1.6 Allowed 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.376 1.048 . . . . 0.0 112.983 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.36 -156.19 27.07 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.355 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.597 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -84.6 -52.56 0.52 Allowed Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 6.1 Cg_endo -47.43 115.94 1.6 Allowed 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.382 2.721 . . . . 0.0 113.111 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.59 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -104.03 164.77 11.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.224 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 32.9 tptt -124.14 150.94 44.53 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -78.22 114.88 17.52 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.49 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 25.7 t70 -118.69 123.86 45.94 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.096 0.474 . . . . 0.0 111.188 -175.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.594 HG22 HD13 ' B' ' 57' ' ' ILE . 52.4 mt -101.82 108.34 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.49 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 16.1 ttm-85 -142.77 145.89 33.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 0.0 112.517 -170.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -110.74 114.43 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.794 170.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -111.37 151.73 28.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.253 0.549 . . . . 0.0 112.27 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.694 177.49 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.695 ' HE2' ' HA ' ' B' ' 57' ' ' ILE . 50.8 mtpt . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -164.38 144.31 9.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.849 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.23 145.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.383 . . . . 0.0 110.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.417 ' HB ' ' HG2' ' A' ' 40' ' ' LYS . 25.0 p -96.19 140.85 30.29 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.652 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.84 150.73 42.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.268 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.9 m -87.64 165.23 15.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -64.52 -35.93 82.57 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.08 -42.33 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.246 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' THR . 40.2 mt-10 -64.7 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.508 0.67 . . . . 0.0 110.125 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' O ' ' HG3' ' A' ' 67' ' ' MET . 4.4 t80 -62.36 -51.13 68.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.664 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.94 -31.64 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 75.9 m -55.14 -45.34 75.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.843 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -78.69 -29.63 45.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.513 -178.069 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 t -56.06 -53.43 38.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.286 0.565 . . . . 0.0 110.41 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.583 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 19.2 t70 -71.58 -34.03 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' CB ' HD13 ' B' ' 16' ' ' LEU . . . -63.82 -40.03 95.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.319 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -73.96 -24.03 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.995 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' ASP . 34.6 ttmt -58.76 -39.85 82.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.47 0.653 . . . . 0.0 109.734 171.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.23 45.12 1.51 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.741 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -161.49 -66.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.108 0.454 . . . . 0.0 111.596 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD22 ' HD2' ' B' ' 64' ' ' PHE . 4.8 mp -94.16 -22.95 18.13 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.147 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 49.2 tt0 . . . . . 0 C--N 1.322 -0.612 0 CA-C-O 121.126 0.489 . . . . 0.0 110.714 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -145.2 122.41 11.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.129 0.49 . . . . 0.0 109.915 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -133.12 148.76 52.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.309 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.92 124.05 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.082 0.468 . . . . 0.0 111.17 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.544 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 18.2 mm-40 -88.71 -42.92 11.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.691 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -162.0 121.79 2.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.977 -173.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.441 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.8 OUTLIER -94.09 137.3 33.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.011 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.488 HD12 HG22 ' B' ' 29' ' ' ILE . 67.0 mt -82.13 -58.15 3.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -174.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -152.36 149.42 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 177.355 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.669 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 91.7 m -92.31 121.34 33.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.583 173.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.67 -58.41 3.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -162.35 155.78 20.56 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.365 0.602 . . . . 0.0 112.098 -173.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -111.15 103.59 12.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 168.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 14.8 m120 -87.82 124.97 34.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.129 -172.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 55.02 34.07 21.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.19 171.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 pttm 39.98 83.01 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.866 0.866 . . . . 0.0 112.478 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.99 -46.7 0.48 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' B' ' 21' ' ' ASN . 10.7 m95 -84.72 104.23 14.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.543 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.8 m -97.88 135.66 39.31 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.885 174.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.515 ' HG3' ' HB2' ' B' ' 45' ' ' ALA . 31.9 ttpt -134.6 123.77 24.34 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.669 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.3 pt-20 -156.78 -179.27 8.03 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.465 0.65 . . . . 0.0 111.766 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.537 HG12 HG23 ' B' ' 43' ' ' ILE . 80.9 mt -117.37 116.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.972 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 8.0 p30 -139.49 168.12 20.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.3 mtm105 -103.26 119.23 38.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.683 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.56 131.38 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.43 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -91.34 113.84 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -88.73 121.85 31.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.752 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p30 43.91 -98.34 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.765 0.826 . . . . 0.0 112.295 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.42 32.33 3.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.872 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.22 155.72 41.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.65 140.32 46.21 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.065 2.51 . . . . 0.0 112.545 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.544 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -65.93 106.5 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.2 mttt -86.93 165.67 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.26 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -82.74 115.38 21.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.358 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -114.01 117.52 31.56 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.177 0.513 . . . . 0.0 109.743 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.537 HG23 HG12 ' B' ' 29' ' ' ILE . 8.1 mm -90.19 103.36 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -151.37 148.06 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.821 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' B' ' 27' ' ' LYS . . . -107.92 140.23 41.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.116 172.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' TRP . . . . . 0.543 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 9.8 p-90 -107.37 126.68 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.648 0.737 . . . . 0.0 110.316 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.108 -1.405 . . . . 0.0 110.085 -173.491 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.461 0.648 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLY . . . . . 0.466 ' O ' ' HB3' ' A' ' 55' ' ' LYS . . . 91.62 -179.1 41.54 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.961 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.695 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 8.8 tt -148.94 141.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.42 0.288 . . . . 0.0 110.284 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.5 m -97.92 117.93 33.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.336 0.589 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.586 HD23 ' HD3' ' A' ' 27' ' ' LYS . 56.4 mt -104.61 138.44 40.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.793 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.418 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 32.6 t -83.8 165.9 18.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -60.43 -27.68 67.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -64.09 -62.08 1.86 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.455 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.856 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 16.7 pm0 -72.17 -23.56 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 -177.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.577 ' O ' HG23 ' B' ' 68' ' ' VAL . 11.4 t80 -64.84 -52.47 56.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.118 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.113 0.483 . . . . 0.0 109.88 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.7 m -53.63 -51.54 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.437 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -71.07 -32.06 68.63 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.598 -176.11 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 64' ' ' PHE . 66.1 t -53.61 -48.31 59.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.289 0.566 . . . . 0.0 110.063 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.0 -42.43 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.926 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.34 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.453 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 17.6 m-85 -72.46 -28.2 62.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.145 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 7.9 mmtp -64.25 -30.34 71.4 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.502 0.668 . . . . 0.0 110.171 171.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.57 27.87 18.54 Favored Glycine 0 C--N 1.316 -0.551 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.269 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -143.2 -64.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 64' ' ' PHE . 6.2 mp -89.82 -31.49 17.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' B' ' 72' ' ' LYS . 24.2 tp10 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.908 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.448 -0.571 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 33' ' ' SER . 50.5 p90 -126.41 147.48 49.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 111.566 -174.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.49 153.61 33.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.376 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.57 96.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 109.737 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 44.9 mm-40 -60.65 -43.18 97.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.1 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -157.42 126.21 5.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -83.57 103.89 13.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.411 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.484 HD12 HG22 ' A' ' 29' ' ' ILE . 67.7 mt -77.35 -64.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 -175.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' B' ' 67' ' ' MET . 87.8 mt -134.47 147.1 50.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.607 -173.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -106.56 117.45 34.08 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 10.0 mt -83.03 -68.41 0.71 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.56 ' HB3' ' OE2' ' B' ' 63' ' ' GLU . 22.8 t -179.8 171.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.571 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 13.4 tt0 -115.94 120.11 38.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.27 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 4.2 p-10 -115.36 169.57 9.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.436 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 57.98 15.85 3.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.975 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 58.56 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.392 0.615 . . . . 0.0 111.231 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.73 -34.99 5.36 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.749 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.526 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 40.0 m95 -76.37 96.49 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.286 0.565 . . . . 0.0 110.037 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 7.0 m -94.14 138.39 32.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HG2' ' HB2' ' A' ' 45' ' ' ALA . 35.5 mtmm -108.44 125.09 51.37 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -140.39 170.34 16.0 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.911 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.485 HG12 HG12 ' A' ' 43' ' ' ILE . 67.2 mt -120.84 119.8 60.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -147.2 166.63 26.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.222 0.534 . . . . 0.0 111.544 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HD3' ' HB1' ' A' ' 39' ' ' ALA . 54.5 mtt180 -87.09 141.09 28.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.939 174.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -126.98 133.53 68.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 20.8 p -113.11 123.4 50.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.146 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.48 113.11 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.639 0.257 . . . . 0.0 111.601 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 70.76 -60.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.957 0.903 . . . . 0.0 111.881 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.4 -127.38 4.22 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.684 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -135.54 42.99 0.81 Allowed Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 4.4 Cg_endo -85.72 93.02 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.161 1.907 . . . . 0.0 110.476 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.577 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -81.27 99.46 8.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.001 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 75.0 mttt -101.8 174.4 5.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 171.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -100.3 125.98 46.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.611 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.539 ' OD1' ' HB2' ' A' ' 44' ' ' ARG . 15.5 t70 -124.51 126.39 45.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.485 HG12 HG12 ' A' ' 29' ' ' ILE . 59.3 mt -98.59 104.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 173.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.539 ' HB2' ' OD1' ' A' ' 42' ' ' ASP . 3.2 tpp180 -118.54 143.06 47.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.304 0.573 . . . . 0.0 112.505 -167.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 27' ' ' LYS . . . -111.01 106.36 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.877 168.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.526 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 60.7 p-90 -108.77 143.04 38.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.093 0.473 . . . . 0.0 111.645 -175.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.415 ' O ' ' HE3' ' A' ' 46' ' ' TRP . 5.6 p . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.406 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 pttt . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.359 0.599 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.505 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -164.05 -172.02 31.0 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.529 HD11 ' HD2' ' B' ' 27' ' ' LYS . 10.2 tp -140.11 128.91 26.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 117.292 0.546 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 p -91.01 118.71 30.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.702 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.48 134.4 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.017 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 m -83.41 166.35 18.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.807 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -55.53 -36.43 66.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.231 0.538 . . . . 0.0 110.961 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.91 -54.41 46.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.878 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.18 -38.51 85.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.772 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.66 ' HD2' HD21 ' B' ' 75' ' ' LEU . 3.2 t80 -61.61 -53.77 51.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.862 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -59.28 -38.15 79.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.678 0.275 . . . . 0.0 110.808 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -55.94 -49.93 72.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.57 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.539 ' HA ' HD11 ' B' ' 16' ' ' LEU . 22.3 ptt? -67.24 -36.57 81.91 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.291 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.588 HG21 HD22 ' B' ' 75' ' ' LEU . 77.7 t -59.33 -50.04 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.223 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.536 ' HA ' ' HG2' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -63.02 -43.39 98.89 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.869 0.366 . . . . 0.0 111.497 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.25 -40.92 91.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.099 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.614 ' HB3' HG13 ' B' ' 68' ' ' VAL . 22.6 m-85 -81.24 -35.28 31.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.935 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.578 ' HE3' HG12 ' A' ' 68' ' ' VAL . 14.8 ptpt -64.22 -25.92 68.28 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.581 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -102.46 11.36 56.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.309 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.94 -59.69 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.265 0.532 . . . . 0.0 112.37 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.743 ' HB3' HG11 ' B' ' 68' ' ' VAL . 19.7 tp -91.45 164.4 13.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.083 -170.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.535 ' HB3' ' HE2' ' B' ' 72' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.464 0.23 0 C-N-CA 123.484 0.714 . . . . 0.0 109.163 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -145.02 141.74 29.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.764 0.316 . . . . 0.0 110.172 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.94 153.32 52.11 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.44 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -83.05 111.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.355 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.657 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 9.8 mm-40 -75.82 -49.91 16.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -150.3 117.42 5.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.74 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -78.75 107.74 11.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.502 HD12 HG22 ' B' ' 29' ' ' ILE . 88.1 mt -65.94 -69.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.495 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 67' ' ' MET . 1.2 pt? -155.75 161.52 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -99.28 127.83 45.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.585 174.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 82.1 mt -82.21 -59.61 2.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.986 0.422 . . . . 0.0 110.136 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -154.6 160.14 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' B' ' 23' ' ' LYS . 0.9 OUTLIER -129.87 106.02 8.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 60.2 t30 -110.98 141.22 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.211 -169.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 63.81 10.63 5.31 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.865 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' OE1' ' B' ' 20' ' ' GLU . 47.3 tttm 56.79 84.23 0.09 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.033 0.533 . . . . 0.0 110.616 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.48 -35.48 2.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.753 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 77.9 m95 -87.5 84.21 7.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' B' ' 45' ' ' ALA . 23.5 m -92.98 136.52 33.19 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.068 -173.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.529 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -105.46 122.73 46.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.404 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -151.3 175.57 12.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.611 . . . . 0.0 111.608 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.542 HG12 HG23 ' B' ' 43' ' ' ILE . 51.1 mt -131.11 123.75 54.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.912 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -143.79 166.47 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.102 0.477 . . . . 0.0 111.361 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.628 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 45.9 mtt-85 -85.23 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.838 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.81 126.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.375 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 6.2 p -99.84 136.46 39.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -113.2 108.32 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.121 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 59.47 36.84 23.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.496 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.76 67.78 1.62 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.403 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -147.17 158.71 44.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -46.53 125.48 9.31 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.327 2.685 . . . . 0.0 112.182 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.657 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -62.92 125.17 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.877 -175.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 58.5 mttp -106.81 169.7 8.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 177.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' B' ' 15' ' ' LEU . 72.4 m-85 -99.47 116.83 32.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.3 . . . . 0.0 110.727 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -112.17 121.65 45.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.542 HG23 HG12 ' B' ' 29' ' ' ILE . 56.8 mt -101.63 109.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.729 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 8.5 ptp180 -150.71 -173.72 4.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.511 0.672 . . . . 0.0 112.156 -174.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' B' ' 27' ' ' LYS . . . -122.36 150.05 42.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.01 175.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' TRP . . . . . 0.514 ' O ' ' HA ' ' B' ' 25' ' ' TRP . 96.9 m95 -108.52 149.94 28.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.548 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLY . . . . . 0.729 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . -169.8 -179.71 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.767 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.505 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 21.1 tt -132.28 140.29 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.148 0.499 . . . . 0.0 111.008 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -100.67 129.63 46.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.312 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.4 mt -113.66 140.2 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -81.67 173.09 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.328 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -52.58 -56.76 13.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.79 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -64.66 -43.69 92.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.56 ' OE2' ' HB3' ' A' ' 19' ' ' SER . 40.8 mt-10 -61.1 -40.61 94.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.685 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -67.39 -45.88 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.085 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -57.59 -44.18 85.22 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.5 m -53.75 -51.98 61.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.69 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.49 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.73 -36.48 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.113 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.743 HG11 ' HB3' ' A' ' 75' ' ' LEU . 48.7 t -61.39 -48.38 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-O 120.62 0.248 . . . . 0.0 110.893 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.54 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 22.6 t70 -62.9 -40.82 98.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.394 . . . . 0.0 111.132 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.93 78.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.153 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.23 -26.52 61.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.74 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 23.9 ttpp -57.98 -37.45 74.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.273 0.558 . . . . 0.0 110.142 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.64 33.97 6.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.926 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -152.29 -178.65 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 64' ' ' PHE . 6.5 mp 55.82 -162.34 0.16 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.823 0.449 . . . . 0.0 110.838 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.433 ' H ' ' HB3' ' B' ' 75' ' ' LEU . 33.4 tt0 . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.463 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.78 0.324 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -113.68 137.68 51.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -144.68 141.0 28.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.076 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.507 HG12 HG22 ' A' ' 32' ' ' VAL . 58.9 mt -81.86 114.94 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -91.2 -52.34 4.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.175 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 56.3 tt0 -127.23 143.92 51.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.402 -174.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -115.9 116.2 27.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 29' ' ' ILE . 95.6 mt -76.19 -72.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.071 -174.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -158.31 164.62 36.22 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.145 0.498 . . . . 0.0 111.387 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.667 HG23 ' HG2' ' A' ' 28' ' ' GLU . 19.8 m -100.0 123.97 44.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.431 173.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 93.8 mt -77.8 -59.81 2.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.603 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.4 p -165.37 171.67 13.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 111.286 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -123.83 113.18 18.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 13.5 m120 -106.16 147.42 29.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 63.11 -86.95 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.357 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -178.02 82.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.45 -20.58 6.94 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.105 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.478 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 91.8 m95 -81.87 82.96 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 m -87.3 137.51 32.28 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 3.7 ttmp? -115.21 119.62 36.96 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 17' ' ' THR . 37.0 mt-10 -138.11 167.34 22.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.039 0.447 . . . . 0.0 111.062 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 15' ' ' LEU . 40.0 mt -130.5 130.14 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.52 -0.763 . . . . 0.0 108.983 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -148.59 -174.99 4.75 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.564 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 12.3 mtp85 -121.62 106.08 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.792 -177.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 11' ' ' ILE . 77.7 t -101.23 140.55 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.39 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 t -108.79 146.24 33.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 0.0 110.368 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -118.25 111.71 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.697 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 68.32 -73.11 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.563 0.745 . . . . 0.0 111.283 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.07 54.88 0.41 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -98.61 163.66 18.54 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 66.2 Cg_endo -75.33 17.21 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.577 2.185 . . . . 0.0 112.385 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . 67.05 105.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.451 0.7 . . . . 0.0 111.31 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 67.4 mttm -94.69 175.27 6.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.348 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -100.69 136.61 40.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.37 132.4 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.413 0.625 . . . . 0.0 110.493 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.519 HG23 HG12 ' A' ' 29' ' ' ILE . 59.8 mt -107.04 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.062 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.841 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 77.3 mtp180 -132.25 162.02 32.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.46 0.648 . . . . 0.0 112.075 -172.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.45 142.61 43.5 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.047 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 78.1 m95 -108.06 125.09 51.16 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.9 0.381 . . . . 0.0 110.224 -178.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.965 -179.425 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt . . . . . 0 C--O 1.232 0.178 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.841 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . -174.54 160.22 29.47 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.621 -178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.5 tp -124.05 133.77 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.898 0.38 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.8 m -94.58 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.329 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.77 132.93 52.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.067 0.46 . . . . 0.0 110.745 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t -78.0 172.66 13.17 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -53.64 54.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.537 -173.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.1 -42.59 96.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.334 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 39.2 mt-10 -60.57 -46.4 90.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.413 0.625 . . . . 0.0 110.235 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' A' ' 67' ' ' MET . 15.8 t80 -63.47 -46.7 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.095 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -59.18 -37.67 77.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.3 m -54.79 -52.69 61.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 15.6 ptt? -66.78 -36.11 81.65 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.617 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.569 HG21 HD22 ' B' ' 75' ' ' LEU . 43.9 t -59.56 -61.04 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.293 -176.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.24 -37.27 82.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.923 0.392 . . . . 0.0 110.6 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.64 55.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.254 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.63 ' HB3' HG22 ' B' ' 68' ' ' VAL . 23.0 m-85 -72.39 -32.08 66.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.616 0.246 . . . . 0.0 111.025 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.88 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 64.1 tttm -53.21 -36.26 60.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.461 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.34 1.35 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -148.69 -65.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.86 0.33 . . . . 0.0 111.745 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.73 HD23 HG21 ' B' ' 68' ' ' VAL . 25.6 tp -65.38 -39.96 92.91 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.998 -173.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 174.12 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.472 ' HB2' HG11 ' B' ' 32' ' ' VAL . 25.3 p90 -119.23 121.1 38.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.809 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.749 ' HB2' ' HB3' ' B' ' 33' ' ' SER . 18.6 mt-10 -120.08 117.23 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.177 -177.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.57 99.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 0.0 110.076 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -88.46 -50.17 6.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.063 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 38.4 tt0 -125.25 125.72 44.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.626 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -99.7 121.98 42.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 29' ' ' ILE . 96.1 mt -97.01 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.794 -175.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 67' ' ' MET . 88.0 mt -132.79 147.23 52.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.481 ' HA ' ' HG2' ' B' ' 28' ' ' GLU . 45.3 m -106.16 101.08 10.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.1 -64.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.612 -172.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.458 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 41.4 t -155.04 150.73 27.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.766 -175.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -105.67 102.63 12.07 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -115.4 153.44 31.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 64.74 5.82 2.98 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.821 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.9 mttm 52.25 81.79 0.08 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.442 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.22 -26.3 3.4 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.166 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -103.85 93.97 5.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.855 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -87.21 137.18 32.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.202 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 35.3 ttpt -117.28 116.08 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.481 ' HG2' ' HA ' ' B' ' 17' ' ' THR . 46.7 mt-10 -134.8 170.74 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.438 0.637 . . . . 0.0 111.718 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.497 HG12 HG23 ' B' ' 43' ' ' ILE . 60.9 mt -117.78 136.37 55.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.843 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.489 HD22 ' N ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -164.68 -174.23 3.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -176.593 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.486 ' HD3' ' CE2' ' B' ' 41' ' ' PHE . 41.1 mtm180 -125.41 114.11 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.963 0.411 . . . . 0.0 110.502 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' B' ' 9' ' ' PHE . 58.2 t -100.34 137.11 28.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.886 -178.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.749 ' HB3' ' HB2' ' B' ' 10' ' ' GLU . 30.1 t -82.16 117.95 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.197 173.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.74 105.2 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 64.15 16.0 9.71 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.487 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.56 -149.48 16.74 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -174.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.486 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.65 171.61 0.09 OUTLIER Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.59 0.356 . . . . 0.0 111.362 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.486 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 52.2 Cg_exo -56.77 125.28 18.49 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.132 1.888 . . . . 0.0 111.906 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.06 125.21 16.55 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.896 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.781 ' HE3' ' HA ' ' B' ' 40' ' ' LYS . 0.6 OUTLIER -86.12 152.47 22.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.541 -177.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.486 ' CE2' ' HD3' ' B' ' 31' ' ' ARG . 22.6 m-85 -80.77 128.84 34.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.687 ' HB3' HG22 ' B' ' 58' ' ' THR . 8.3 p-10 -138.72 136.41 35.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.503 0.668 . . . . 0.0 111.424 178.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.497 HG23 HG12 ' B' ' 29' ' ' ILE . 52.9 mt -116.44 113.05 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.901 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.559 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 4.4 ppt_? -162.58 177.52 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.876 0.369 . . . . 0.0 111.695 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -114.58 155.86 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.951 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 67.8 p-90 -130.1 154.88 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.688 -170.683 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mttp . . . . . 0 C--O 1.234 0.288 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLY . . . . . 0.559 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . 173.89 -154.72 20.31 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 11.6 tt -138.19 138.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.97 0.414 . . . . 0.0 111.154 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.687 HG22 ' HB3' ' B' ' 42' ' ' ASP . 16.7 p -102.95 133.04 48.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.493 174.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.805 HD21 ' HD1' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -144.27 168.64 19.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.722 0.296 . . . . 0.0 111.458 -173.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.551 ' HA ' ' HE2' ' B' ' 40' ' ' LYS . 12.1 t -96.6 173.18 7.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.367 0.603 . . . . 0.0 111.773 -171.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -29.37 70.61 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.618 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.96 -60.13 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.627 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 mp0 -57.71 -39.75 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.847 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.805 ' HD1' HD21 ' B' ' 59' ' ' LEU . 1.0 OUTLIER -56.65 -48.13 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.347 -178.795 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -67.07 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.406 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.9 m -57.06 -49.46 75.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.429 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 23.6 ptt? -68.37 -32.79 73.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.73 HG21 HD23 ' A' ' 75' ' ' LEU . 48.6 t -60.89 -44.28 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.42 -48.45 72.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.448 . . . . 0.0 110.728 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.12 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.285 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 24.9 m-85 -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.88 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 81.2 tttt -76.94 -25.54 53.01 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 -11.09 50.4 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.827 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -123.27 166.66 14.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.447 -0.443 . . . . 0.0 110.168 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 68' ' ' VAL . 5.6 mp 58.42 -162.49 0.22 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.37 0.268 . . . . 0.0 110.477 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.428 ' H ' ' HB3' ' B' ' 75' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.488 0 O-C-N 123.783 0.677 . . . . 0.0 110.171 174.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.606 -0.886 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.581 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 49.2 p90 -140.68 147.24 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.631 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.7 149.68 33.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.586 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.84 98.99 7.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.5 -32.37 17.22 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.534 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 8.3 tp10 -123.44 141.57 51.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.941 0.4 . . . . 0.0 110.98 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -117.86 125.46 50.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.796 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 29' ' ' ILE . 86.7 mt -100.58 -70.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.127 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 82.6 mt -134.98 147.62 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 -173.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -106.64 120.02 40.86 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 165.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 mt -87.98 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p -161.01 163.76 31.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 112.165 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -102.85 107.65 18.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.004 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.21 125.39 35.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.779 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 58.1 20.67 7.16 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.102 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 tttp 55.72 84.04 0.08 Allowed 'General case' 0 CA--C 1.53 0.177 0 O-C-N 123.699 0.624 . . . . 0.0 111.078 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.64 -51.06 0.54 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.908 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -86.5 98.22 10.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 137.36 32.41 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.93 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 39.0 ttmt -112.74 131.24 55.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.875 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 11.7 pt-20 -148.09 174.0 12.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.337 0.589 . . . . 0.0 111.505 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 15' ' ' LEU . 63.1 mt -123.31 122.54 65.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.734 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -148.05 -175.62 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.907 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.59 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 61.9 mtp180 -113.83 119.64 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.535 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.581 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 79.0 t -101.1 124.35 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.815 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.505 ' HB3' ' HA ' ' A' ' 37' ' ' ALA . 2.8 m -89.96 113.69 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.779 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -92.01 112.34 24.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.472 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 68.8 -63.67 0.35 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.853 0.861 . . . . 0.0 111.784 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.501 ' C ' ' HD3' ' A' ' 38' ' ' PRO . . . -98.47 -133.39 7.99 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.52 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -128.26 61.87 55.53 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.865 0.332 . . . . 0.0 111.808 174.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 93.6 Cg_endo -105.02 46.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 123.836 3.024 . . . . 0.0 110.687 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.59 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -52.85 107.05 0.19 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.572 -170.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 57.5 mttp -99.55 172.06 7.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.318 176.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.09 127.34 33.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.787 0.327 . . . . 0.0 110.282 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.493 ' OD1' ' HD2' ' A' ' 44' ' ' ARG . 13.0 t70 -130.99 119.11 21.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.1 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.596 HG22 HD13 ' B' ' 57' ' ' ILE . 54.2 mt -95.23 112.3 27.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HD2' ' OD1' ' A' ' 42' ' ' ASP . 10.9 ptm85 -145.22 164.25 31.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.488 0.661 . . . . 0.0 112.145 -169.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -126.02 127.31 45.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.831 172.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -108.29 146.86 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.425 0.631 . . . . 0.0 111.122 -177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.892 -174.499 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.7 mttt . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 121.057 0.456 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.551 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -139.06 173.29 22.74 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.561 ' HB ' ' HA2' ' B' ' 56' ' ' GLY . 20.2 tt -148.86 142.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.481 0.641 . . . . 0.0 112.08 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.8 p -92.16 143.09 26.79 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.053 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.7 mt -128.25 129.59 46.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -77.64 171.08 15.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.48 -42.78 88.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.55 -53.45 54.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.243 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.42 -41.52 98.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.143 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.481 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 29.4 t80 -65.21 -44.63 87.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.75 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -63.18 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -53.04 -51.45 61.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.299 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 16.5 ptt? -66.16 -40.73 90.77 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.877 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.575 HG21 HD23 ' B' ' 75' ' ' LEU . 66.8 t -57.48 -52.31 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.778 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 18.9 t70 -64.45 -48.21 76.17 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 110.936 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.17 86.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.563 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -82.69 -35.31 26.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -62.62 -28.08 69.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.94 -178.367 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 72' ' ' LYS . . . -105.49 33.83 6.23 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.335 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -155.44 -53.38 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.732 0.266 . . . . 0.0 111.398 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.555 HD23 HG21 ' B' ' 68' ' ' VAL . 30.4 tp -109.49 33.59 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.81 -171.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.485 0.659 . . . . 0.0 109.835 174.891 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -108.11 133.22 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 151.11 36.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.218 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.7 mt -93.95 107.39 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.198 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.54 -40.41 35.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.154 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -149.09 114.81 5.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.106 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -98.36 125.41 43.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.35 -73.84 0.22 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.619 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.45 148.79 29.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.081 0.467 . . . . 0.0 110.72 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.6 m -86.03 121.35 28.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.535 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.26 -63.21 1.13 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.4 m -164.4 170.92 15.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.36 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -106.79 107.35 18.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 172.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' B' ' 22' ' ' GLU . 6.6 t-20 -90.31 130.56 36.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.028 -170.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.431 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 22.1 mm-40 59.95 23.37 12.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.03 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' B' ' 23' ' ' LYS . 72.1 mmtt 52.11 87.95 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.443 0.639 . . . . 0.0 111.704 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.83 -47.21 0.95 Allowed Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.796 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -86.45 97.55 10.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 0.0 109.748 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -85.4 137.47 32.91 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.409 ' CD ' HD11 ' A' ' 57' ' ' ILE . 30.3 ttpt -119.58 117.92 29.64 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -176.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' B' ' 29' ' ' ILE . 31.0 tt0 -135.86 155.5 50.22 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.85 -170.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.572 HG12 HG12 ' B' ' 43' ' ' ILE . 59.5 mt -108.69 115.61 49.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.334 173.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.26 174.45 10.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.847 0.356 . . . . 0.0 111.142 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.519 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 78.4 mtp180 -109.75 119.73 40.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.671 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.83 137.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.996 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' B' ' 36' ' ' GLY . 66.4 m -114.91 144.54 43.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 176.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.26 108.42 15.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.969 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 71.28 -61.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.047 0.842 . . . . 0.0 111.33 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' B' ' 33' ' ' SER . . . -92.36 -149.54 24.63 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 175.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 63.42 60.61 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.374 0.587 . . . . 0.0 112.238 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.2 -26.85 4.82 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.216 1.944 . . . . 0.0 111.227 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' B' ' 31' ' ' ARG . . . 43.76 78.78 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.773 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 95.3 mttt -91.89 157.55 16.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -79.02 128.53 33.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.036 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.34 134.03 44.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.866 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.572 HG12 HG12 ' B' ' 29' ' ' ILE . 52.4 mt -114.37 108.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.631 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.555 ' HA ' HD12 ' A' ' 57' ' ' ILE . 18.4 ptp180 -147.21 173.74 12.26 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.717 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.58 147.0 35.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.968 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -111.63 135.22 52.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.024 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.393 179.83 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 pttt . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.197 0.523 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLY . . . . . 0.561 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . -177.49 -174.99 44.36 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.596 HD13 HG22 ' A' ' 43' ' ' ILE . 17.3 tt -136.93 133.53 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.225 0.536 . . . . 0.0 111.577 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -89.26 135.53 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.121 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -120.86 144.15 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.759 0.314 . . . . 0.0 110.708 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.4 m -79.77 168.0 19.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -56.2 -51.55 67.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.99 -49.3 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.136 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -57.0 -47.0 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.253 0.549 . . . . 0.0 110.629 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.492 ' O ' ' HG2' ' B' ' 67' ' ' MET . 7.3 t80 -62.19 -51.58 67.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.493 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLN . . . . . 0.413 ' OE1' ' HG ' ' A' ' 75' ' ' LEU . 23.4 mm-40 -56.52 -38.68 72.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.704 176.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.0 m -60.14 -49.02 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.19 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 17.5 ptt? -64.64 -35.36 80.78 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.524 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.555 HG21 HD23 ' A' ' 75' ' ' LEU . 96.5 t -62.79 -57.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 0.0 110.477 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.9 -51.95 62.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.011 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 -50.95 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.132 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.481 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 14.8 m-85 -68.78 -28.86 67.15 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.698 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -63.35 -33.22 75.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.232 0.539 . . . . 0.0 110.068 174.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.98 25.38 26.55 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.446 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' B' ' 71' ' ' PHE . 45.7 t30 -141.1 -68.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.788 0.294 . . . . 0.0 111.383 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.575 HD23 HG21 ' A' ' 68' ' ' VAL . 36.8 tp -80.28 -25.57 39.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.141 -0.223 . . . . 0.0 111.333 -172.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 C--O 1.234 0.259 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.142 177.799 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 120.923 0.392 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' SER . 21.2 p90 -104.46 127.99 52.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 109.823 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -137.15 146.97 45.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.621 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.469 HD11 ' HZ2' ' A' ' 46' ' ' TRP . 64.3 mt -77.97 117.29 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.608 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 3.1 mm-40 -84.16 -44.89 13.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -155.28 127.17 7.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -78.88 116.08 18.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.89 -53.36 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.5 OUTLIER -154.38 113.13 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 -174.641 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.6 m -88.9 106.69 18.56 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.544 HD23 HD22 ' A' ' 16' ' ' LEU . 89.1 mt -73.7 -67.17 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.064 -169.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -168.95 172.28 7.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -172.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 32.3 tt0 -117.34 124.05 47.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -94.34 128.35 40.78 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 53.97 28.82 9.11 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.648 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 52.5 88.89 0.03 OUTLIER 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.575 -175.35 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.423 ' H ' ' HG2' ' A' ' 20' ' ' GLU . . . 152.23 -65.4 0.35 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.115 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -84.59 100.26 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.268 0.556 . . . . 0.0 110.621 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 6.8 m -86.93 139.76 30.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.141 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -113.73 122.72 47.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -139.28 151.55 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.491 0.662 . . . . 0.0 111.737 -171.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.509 HG12 HG23 ' A' ' 43' ' ' ILE . 63.0 mt -114.03 126.03 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.063 174.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -151.18 167.19 28.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.495 -173.586 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 51.4 mtp180 -99.63 125.92 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.721 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.9 t -113.33 130.54 67.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.048 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 12' ' ' GLU . 39.5 t -90.21 127.1 36.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.717 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -109.04 108.43 19.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 32.03 -86.45 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.242 1.417 . . . . 0.0 113.968 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.15 53.3 0.71 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.131 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . -148.78 148.93 29.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 122.067 0.147 . . . . 0.0 110.676 -178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 35.7 Cg_exo -61.11 142.94 98.56 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.825 2.35 . . . . 0.0 112.013 178.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -59.45 123.04 15.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.348 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 70.7 mmtt -92.03 178.62 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.867 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -102.14 123.01 45.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.5 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 36.5 t70 -129.52 124.93 35.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.974 0.416 . . . . 0.0 111.178 -175.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 29' ' ' ILE . 60.1 mt -96.76 111.71 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.5 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 37.8 ttp-105 -138.44 158.01 45.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.186 0.517 . . . . 0.0 111.853 -165.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.77 143.8 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.79 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.469 ' HZ2' HD11 ' A' ' 11' ' ' ILE . 94.8 m95 -107.98 129.36 55.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.186 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.318 -0.761 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 pttp . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.408 0.623 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.46 -144.57 5.9 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.799 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.704 HD13 HG22 ' B' ' 43' ' ' ILE . 19.7 tt -153.88 130.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.24 0.543 . . . . 0.0 111.167 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.0 m -93.75 143.72 26.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.731 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -127.82 148.75 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 m -81.3 162.91 23.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.33 -45.43 76.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 2.4 mp0 -57.67 -48.95 78.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.38 -42.58 92.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.575 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.504 ' O ' ' HG2' ' A' ' 67' ' ' MET . 26.0 t80 -63.9 -45.64 88.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.566 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -35.34 79.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.423 HG22 HD21 ' B' ' 16' ' ' LEU . 56.6 m -57.69 -52.21 66.39 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.341 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 17.9 ptt? -62.06 -39.96 94.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.602 0.239 . . . . 0.0 110.472 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.479 HG21 HD23 ' B' ' 75' ' ' LEU . 94.0 t -61.96 -47.89 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.879 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.88 -46.75 77.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.616 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -63.48 -41.86 98.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.434 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.492 ' HA ' ' HB3' ' A' ' 74' ' ' ASN . 19.6 m-85 -75.36 -27.7 59.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.164 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.754 ' HG3' ' HE2' ' B' ' 72' ' ' LYS . 80.2 tttt -56.49 -40.01 74.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.91 39.28 2.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.952 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.492 ' HB3' ' HA ' ' A' ' 71' ' ' PHE . 44.0 t30 -147.77 -75.34 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 111.56 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.521 ' HB3' HG11 ' B' ' 68' ' ' VAL . 22.3 tp -91.26 21.18 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.742 -169.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.517 ' HB3' ' HE3' ' B' ' 72' ' ' LYS . 3.8 pt-20 . . . . . 0 C--N 1.323 -0.551 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 172.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.657 ' HB ' ' HA ' ' B' ' 35' ' ' ASN . 27.9 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -157.7 136.61 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.901 0.382 . . . . 0.0 110.441 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -150.24 153.19 35.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.446 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.592 HD12 ' ND2' ' B' ' 30' ' ' ASN . 12.5 mm -93.76 102.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.415 ' OE1' ' HB2' ' B' ' 39' ' ' ALA . 11.0 pt-20 -83.34 -27.58 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -155.81 129.6 8.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.754 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -106.9 113.73 27.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.601 HD12 HG22 ' B' ' 29' ' ' ILE . 39.5 mt -57.37 -70.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 -167.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.616 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -158.07 146.17 18.69 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.154 0.502 . . . . 0.0 111.377 175.327 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 m -76.23 117.56 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.04 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.4 -58.94 3.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.774 0.321 . . . . 0.0 110.359 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.6 t -170.42 160.27 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -103.62 126.36 50.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.648 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.71 142.23 34.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.076 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.0 -19.63 32.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.913 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.12 -1.28 14.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.586 0.231 . . . . 0.0 111.359 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.32 26.81 27.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.568 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -115.5 158.64 22.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m -124.41 138.03 54.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.116 0.484 . . . . 0.0 111.053 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.5 ' HD2' HD11 ' A' ' 57' ' ' ILE . 35.8 ttpt -118.01 118.98 33.41 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 40.9 tt0 -140.0 152.6 46.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.714 -173.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.601 HG22 HD12 ' B' ' 15' ' ' LEU . 55.5 mt -101.92 123.16 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 173.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.592 ' ND2' HD12 ' B' ' 11' ' ' ILE . 24.5 p-10 -131.36 174.77 9.74 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.997 -174.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.65 ' HG2' ' HB1' ' B' ' 39' ' ' ALA . 32.7 ttp85 -125.33 114.19 18.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 20.4 t -106.61 133.75 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.623 -169.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -83.75 103.15 12.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -91.75 112.34 24.22 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.428 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.657 ' HA ' ' HB ' ' B' ' 8' ' ' THR . 94.1 m-20 66.59 -70.7 0.1 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.273 0.983 . . . . 0.0 111.636 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.84 -136.7 8.85 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.25 54.8 13.31 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -85.25 -26.15 1.5 Allowed 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.784 1.656 . . . . 0.0 111.372 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' B' ' 31' ' ' ARG . . . 51.12 85.54 0.04 OUTLIER 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.56 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.12 158.71 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.767 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.566 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 46.7 m-85 -90.57 135.29 33.8 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -135.57 129.43 32.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.704 HG22 HD13 ' A' ' 57' ' ' ILE . 45.5 mt -109.39 115.03 48.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -142.74 163.05 33.86 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.489 0.662 . . . . 0.0 112.245 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.12 113.97 27.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.545 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' TRP . . . . . 0.402 ' HE1' ' HB3' ' B' ' 28' ' ' GLU . 61.8 p-90 -118.13 163.1 17.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.063 0.459 . . . . 0.0 111.489 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -177.459 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' B' ' 55' ' ' LYS . 25.1 mmtm . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 121.252 0.548 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLY . . . . . 0.469 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 168.77 -157.43 29.52 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -177.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 tt -158.84 135.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 117.542 0.671 . . . . 0.0 111.256 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 11.5 m -96.01 144.35 26.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.228 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -127.88 146.13 50.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.824 0.345 . . . . 0.0 110.477 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 6.3 m -85.27 173.87 10.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.398 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.566 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 5.2 p30 -54.06 -58.73 6.23 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.288 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.4 -42.72 96.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.336 . . . . 0.0 111.233 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.509 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 24.9 mt-10 -61.4 -48.27 81.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 -177.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.488 ' HD2' HD22 ' A' ' 75' ' ' LEU . 13.6 t80 -68.52 -38.72 81.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.414 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.37 -44.08 97.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.284 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.7 m -56.43 -44.95 80.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.473 ' HA ' HD13 ' A' ' 16' ' ' LEU . 57.1 ttp -59.22 -57.56 12.5 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.184 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.521 HG11 ' HB3' ' A' ' 75' ' ' LEU . 82.6 t -56.57 -54.39 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.652 -176.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' B' ' 72' ' ' LYS . 31.1 t70 -58.35 -49.26 77.84 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.862 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.607 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -63.92 -44.9 91.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.161 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -69.33 -42.49 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.754 ' HE2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.12 -26.48 68.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -175.743 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.43 8.49 64.38 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.576 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -126.04 -63.54 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.432 -0.452 . . . . 0.0 111.758 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.479 HD23 HG21 ' A' ' 68' ' ' VAL . 55.7 tp -93.03 87.71 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 111.079 -174.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.875 0.369 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 33' ' ' SER . 39.5 p90 -107.2 136.06 47.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.418 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -128.18 126.8 41.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.888 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 32' ' ' VAL . 52.4 mt -81.97 95.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 -50.41 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.788 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -127.19 151.95 48.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -118.51 137.89 52.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 HG22 ' A' ' 29' ' ' ILE . 2.0 mm? -88.31 -70.11 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.837 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' B' ' 70' ' ' ALA . 1.6 pt? -169.36 167.73 9.93 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 m -99.9 130.25 46.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 171.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -53.71 5.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -160.06 153.38 22.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.147 0.499 . . . . 0.0 111.548 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.14 113.94 19.65 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -109.95 140.65 43.7 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 63.7 24.07 13.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 pttp 46.32 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.375 1.07 . . . . 0.0 112.562 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -47.5 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.009 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -77.36 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.017 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.459 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 24.5 m -105.91 138.12 42.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.314 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -123.18 117.51 25.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -144.82 169.96 17.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -173.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.743 HG22 HD23 ' A' ' 15' ' ' LEU . 52.9 mt -126.87 133.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.942 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -148.45 169.39 20.34 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.74 -174.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 70.7 mtp180 -108.11 116.0 31.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.645 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 11' ' ' ILE . 15.8 t -122.5 135.63 61.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -176.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.532 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 18.0 m -96.9 104.4 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.191 175.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -89.91 92.71 9.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.604 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 61.28 19.67 10.35 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -135.46 173.24 21.82 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.703 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -81.47 -52.41 0.8 Allowed Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 59.1 Cg_endo -72.2 117.13 4.99 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.335 2.023 . . . . 0.0 112.859 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.86 108.67 12.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.552 ' HD2' ' HA ' ' A' ' 60' ' ' SER . 30.6 mtmt -84.09 169.99 14.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -86.04 114.19 22.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.555 ' HB2' HG22 ' A' ' 58' ' ' THR . 8.5 t70 -109.59 123.77 50.0 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.54 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.719 HG22 HD13 ' B' ' 57' ' ' ILE . 35.1 mt -100.15 111.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -126.44 131.99 51.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.261 0.553 . . . . 0.0 111.964 -170.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.79 107.4 15.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.409 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.459 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 54.7 p-90 -108.78 145.18 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.284 0.564 . . . . 0.0 111.742 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.886 179.63 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -156.63 149.3 20.08 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.93 137.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.769 0.319 . . . . 0.0 110.699 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 42' ' ' ASP . 51.6 p -98.54 121.55 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 0.0 110.739 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.9 146.56 27.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.027 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.552 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 8.5 m -80.28 159.97 25.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.489 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -51.2 -53.04 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.998 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.94 -40.11 95.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.473 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.64 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 109.774 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.525 ' O ' ' HG2' ' A' ' 67' ' ' MET . 4.1 t80 -65.75 -46.02 80.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.618 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -60.81 -38.89 86.94 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -55.26 -48.59 73.77 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.253 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.9 ptt? -69.68 -33.36 72.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.923 -177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.589 HG21 HD23 ' B' ' 75' ' ' LEU . 54.5 t -58.77 -52.7 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.219 -177.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.41 -38.82 91.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.532 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.54 72.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -79.74 -13.59 59.34 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.327 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.648 ' HE3' ' HG2' ' B' ' 76' ' ' GLU . 36.0 tttm -79.25 -18.84 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.495 0.664 . . . . 0.0 109.825 174.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.34 18.56 8.81 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.472 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.533 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 10.2 t30 -155.14 161.91 41.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 74' ' ' ASN . 27.7 tp 76.76 -60.2 0.47 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.421 0.45 . . . . 0.0 110.832 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.252 177.22 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -112.05 147.81 35.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -146.7 131.96 18.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.928 0.394 . . . . 0.0 111.107 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.564 HG13 HG22 ' B' ' 32' ' ' VAL . 4.0 mp -88.59 99.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -76.25 -59.13 2.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.078 -173.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.55 125.14 28.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -92.78 126.31 37.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' B' ' 41' ' ' PHE . 63.4 mt -70.04 -68.29 0.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.335 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' B' ' 28' ' ' GLU . 0.6 OUTLIER -155.52 152.37 28.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.193 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m -87.85 125.47 34.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.266 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.53 -55.46 5.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.922 0.391 . . . . 0.0 110.482 -177.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -169.13 179.79 3.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.528 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.26 109.44 11.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.508 ' N ' HD22 ' B' ' 21' ' ' ASN . 0.8 OUTLIER -95.99 135.6 37.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.427 -168.735 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 63.23 13.03 6.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.88 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? 56.23 71.56 0.55 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.229 0.537 . . . . 0.0 110.709 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.1 -34.86 0.49 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.08 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -107.56 103.21 12.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.146 0.498 . . . . 0.0 110.324 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 14.8 m -86.95 138.69 31.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -175.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.589 ' HD3' ' HB2' ' B' ' 45' ' ' ALA . 0.9 OUTLIER -106.05 115.64 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 44.0 tt0 -145.38 153.71 41.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.133 0.492 . . . . 0.0 111.698 -175.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.451 HG12 HG23 ' B' ' 43' ' ' ILE . 53.1 mt -108.74 114.8 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -136.93 156.6 48.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 0.0 111.004 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 20.4 mtm180 -90.75 126.44 36.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.788 0.328 . . . . 0.0 111.014 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.564 HG22 HG13 ' B' ' 11' ' ' ILE . 39.6 t -121.45 133.05 69.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.496 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -109.99 148.16 32.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.5 111.69 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.262 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 p30 49.1 24.2 0.88 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.566 1.147 . . . . 0.0 112.551 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.59 -161.08 20.11 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . 66.83 161.94 0.13 Allowed Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 122.944 0.497 . . . . 0.0 111.5 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.89 127.78 22.42 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.354 2.036 . . . . 0.0 111.786 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 125.27 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.014 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 90.4 mttt -87.61 165.87 15.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.407 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.405 ' HD1' HD11 ' B' ' 15' ' ' LEU . 28.8 m-85 -85.59 114.56 22.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' B' ' 58' ' ' THR . 36.0 t70 -111.26 116.88 31.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.084 0.468 . . . . 0.0 110.831 -176.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.451 HG23 HG12 ' B' ' 29' ' ' ILE . 51.2 mt -91.12 105.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -146.26 149.03 33.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.546 0.689 . . . . 0.0 112.435 -168.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' B' ' 27' ' ' LYS . . . -98.98 124.95 44.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.509 173.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' TRP . . . . . 0.419 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 32.4 p-90 -108.56 146.11 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 110.9 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.986 -170.904 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 mttp . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.35 168.64 38.02 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.827 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 43' ' ' ILE . 17.9 tt -143.9 136.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.094 0.474 . . . . 0.0 110.806 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 42' ' ' ASP . 4.9 m -96.97 139.93 32.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -124.42 138.67 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.6 m -82.94 170.6 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -55.58 -46.52 77.24 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.8 -55.75 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.706 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' B' ' 63' ' ' GLU . 21.1 mt-10 -58.76 -39.46 81.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.758 -175.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.558 ' O ' HG23 ' B' ' 68' ' ' VAL . 14.8 t80 -64.4 -53.09 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.195 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -59.65 -30.28 68.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.306 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.9 m -59.93 -51.04 71.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.682 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.617 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 13.3 ptt? -66.73 -36.37 82.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.947 0.404 . . . . 0.0 110.116 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 64' ' ' PHE . 76.6 t -61.36 -40.31 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.139 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.05 -49.49 65.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.964 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 16' ' ' LEU . . . -61.81 -52.48 64.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.186 -174.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 27.6 m-85 -68.48 -31.47 70.77 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.622 -177.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.583 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 80.9 tttt -54.49 -43.04 71.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.184 0.516 . . . . 0.0 110.673 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.36 26.12 25.59 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -136.01 -62.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.791 0.296 . . . . 0.0 111.427 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 68' ' ' VAL . 14.7 tp -87.73 -0.19 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.003 0.43 . . . . 0.0 111.121 -171.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.648 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 8.2 tp10 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 170.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.039 0.447 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 33' ' ' SER . 38.0 p90 -145.0 139.37 27.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.646 178.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -137.22 152.74 50.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.64 0.257 . . . . 0.0 110.649 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.31 117.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.597 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 19.4 mm-40 -86.33 -44.32 12.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.355 0.598 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -154.36 145.07 22.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.596 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -103.29 123.22 46.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.527 HD12 HG22 ' A' ' 29' ' ' ILE . 82.1 mt -77.07 -66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.496 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' B' ' 67' ' ' MET . 0.5 OUTLIER -160.85 141.19 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.508 . . . . 0.0 110.503 176.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.628 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 15.4 m -88.97 125.95 35.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.66 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.549 HD12 ' HD2' ' A' ' 27' ' ' LYS . 62.8 mt -79.53 -66.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.755 0.312 . . . . 0.0 110.673 -176.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.454 ' HG ' ' HG2' ' B' ' 63' ' ' GLU . 6.6 m -140.8 150.78 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.943 0.401 . . . . 0.0 110.97 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.37 112.0 24.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.179 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -76.07 127.82 33.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.91 -14.17 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 111.278 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -70.06 -13.2 62.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 47' ' ' SER . . . 106.92 32.22 3.62 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.832 176.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.41 ' HD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 m0 -135.73 117.5 15.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.668 0.271 . . . . 0.0 110.787 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -94.49 138.31 32.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.588 0.232 . . . . 0.0 110.521 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HD2' HD12 ' A' ' 18' ' ' LEU . 3.9 tmmm? -113.61 115.55 28.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.628 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 19.6 pt-20 -143.18 176.07 9.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.556 HG12 HG23 ' A' ' 43' ' ' ILE . 38.2 mt -119.4 118.48 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.43 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.47 164.51 22.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.023 0.439 . . . . 0.0 111.276 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 74.4 mtp180 -98.25 118.11 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 46.8 t -115.77 133.63 61.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 7.1 p -94.15 114.21 26.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.26 117.56 31.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.083 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 m120 61.78 25.65 15.46 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.89 -123.06 1.19 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.896 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.639 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -130.55 46.13 2.09 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 177.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 34.4 Cg_endo -98.87 86.85 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.468 2.112 . . . . 0.0 110.885 169.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.597 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -71.98 94.08 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.668 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 94.6 mttt -92.75 179.54 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.019 177.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -109.35 115.48 30.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 58' ' ' THR . 18.2 t70 -116.61 128.85 55.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 -176.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.682 HG22 HD13 ' B' ' 57' ' ' ILE . 24.8 mt -105.67 111.31 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.534 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 11.2 ttm180 -147.69 155.08 41.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.106 0.479 . . . . 0.0 111.908 -170.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -106.39 120.94 43.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.909 172.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -157.59 156.36 31.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.64 -177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 70.5 m . . . . . 0 CA--C 1.538 0.515 0 O-C-N 123.419 0.449 . . . . 0.0 111.156 171.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.901 ' HG3' ' HA ' ' B' ' 57' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.625 0.726 . . . . 0.0 111.969 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.534 ' HA3' ' HG3' ' A' ' 44' ' ' ARG . . . -166.91 118.71 0.81 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.8 tt -145.14 143.81 21.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.164 0.507 . . . . 0.0 111.399 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 3.0 m -92.79 142.75 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.139 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.0 mt -116.0 140.91 48.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -79.71 163.09 24.79 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -57.09 -46.2 82.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.23 -45.96 89.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.639 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.29 -39.47 94.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 110.287 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.626 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.1 t80 -64.08 -51.92 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.456 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.22 -35.08 71.15 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 111.261 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -59.24 -50.52 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -70.57 -24.62 62.8 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 -178.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 64' ' ' PHE . 75.8 t -57.65 -57.09 11.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.912 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 20.2 t70 -61.91 -46.18 90.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.993 0.425 . . . . 0.0 111.018 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' B' ' 16' ' ' LEU . . . -53.76 -56.15 20.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.157 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.574 ' HB2' ' HE3' ' B' ' 72' ' ' LYS . 50.7 m-85 -83.62 -1.25 53.49 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.959 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.912 ' HE2' ' HA ' ' A' ' 69' ' ' ASP . 22.4 ttpt -77.19 -24.52 51.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.55 19.56 26.17 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.911 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 43.1 t-20 -148.53 122.5 9.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.588 HD23 HG21 ' B' ' 68' ' ' VAL . 59.6 tp 74.37 -67.97 0.23 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.701 0.626 . . . . 0.0 111.015 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 111.921 -179.694 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -108.34 129.94 55.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.158 0.504 . . . . 0.0 110.514 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' B' ' 33' ' ' SER . 6.8 mm-40 -112.93 122.51 47.84 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.4 mm -90.58 90.36 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.43 -35.87 22.75 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.274 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -158.75 142.59 15.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.065 0.46 . . . . 0.0 111.333 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.485 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.3 OUTLIER -106.68 142.89 35.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.506 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.627 HD23 HG22 ' B' ' 29' ' ' ILE . 2.4 mm? -72.4 -54.08 10.4 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 1.6 pt? -164.5 159.17 19.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.902 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.587 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 32.0 m -99.98 121.67 41.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.46 175.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.04 -63.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 p 178.87 167.77 0.92 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.734 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 14.0 pt-20 -110.9 138.94 46.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -110.82 148.93 31.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.669 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 64.93 9.05 5.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.739 0.65 . . . . 0.0 111.529 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' B' ' 23' ' ' LYS . 19.8 tptm 55.35 95.8 0.02 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 110.538 -173.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.8 -48.25 0.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.059 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -81.84 88.04 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.163 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 22.0 m -86.73 137.97 32.01 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.979 -178.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HB3' ' HE2' ' B' ' 27' ' ' LYS . 35.8 ttpt -127.67 127.91 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.587 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 17.2 pt-20 -156.69 -176.91 6.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 110.966 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.653 HG12 HG12 ' B' ' 43' ' ' ILE . 53.4 mt -120.09 130.27 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.433 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.1 OUTLIER -141.6 176.22 9.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.513 0.197 . . . . 0.0 111.084 -175.345 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.425 ' HB3' ' CB ' ' B' ' 39' ' ' ALA . 46.6 mtm105 -111.49 117.85 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.263 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 t -107.45 121.89 60.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.613 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.523 ' HB2' ' HB2' ' B' ' 10' ' ' GLU . 0.8 OUTLIER -84.2 110.03 18.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -93.33 137.32 32.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.882 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 72.32 -68.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.878 0.736 . . . . 0.0 111.233 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.12 48.28 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . -140.75 172.97 5.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -174.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 2.1 Cg_endo -43.22 143.34 2.18 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 123.2 2.6 . . . . 0.0 112.553 173.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -77.06 140.83 40.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.803 -173.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -101.13 154.94 18.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.135 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -74.91 125.47 28.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -131.57 133.11 44.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.91 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.653 HG12 HG12 ' B' ' 29' ' ' ILE . 56.2 mt -108.55 114.82 47.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -144.24 169.36 18.04 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.882 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.59 150.04 31.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.746 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -107.32 125.17 50.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.855 -179.335 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.339 0.59 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.61 -146.88 12.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.901 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 18.7 tt -143.1 138.66 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.15 0.5 . . . . 0.0 111.244 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.71 140.63 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.305 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.0 mt -123.76 138.11 54.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.292 0.568 . . . . 0.0 110.407 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.746 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 20.3 m -83.54 171.46 13.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.101 175.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.98 -55.66 32.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.6 0.238 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.35 -35.06 79.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.95 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.746 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 30.3 mt-10 -62.79 -50.3 71.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.195 0.521 . . . . 0.0 109.962 177.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.535 ' O ' HG23 ' B' ' 68' ' ' VAL . 31.9 t80 -59.8 -46.82 88.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -53.27 -46.22 69.16 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 69.1 m -56.88 -48.13 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -70.81 -34.72 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.553 -175.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.779 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 69.0 t -59.1 -64.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.264 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.84 -37.09 80.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 0.0 111.17 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.48 57.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.471 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.779 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 34.0 mmtt -69.66 -25.46 63.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.87 30.7 8.43 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.745 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -150.89 -59.82 0.18 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.84 0.32 . . . . 0.0 111.117 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 68' ' ' VAL . 29.6 tp -78.17 -19.25 54.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.369 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.917 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -152.76 134.29 14.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.0 0.429 . . . . 0.0 111.026 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -140.23 153.43 46.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.994 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.559 HG12 HG22 ' A' ' 32' ' ' VAL . 51.8 mt -92.98 115.94 32.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -91.42 -23.5 20.01 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.654 -175.714 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -157.34 141.93 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 111.113 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -101.22 116.39 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 29' ' ' ILE . 92.4 mt -65.66 -58.98 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -176.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.8 153.92 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 m -102.14 123.29 45.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.97 -57.3 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.035 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 p -167.79 -179.49 4.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.29 0.567 . . . . 0.0 112.164 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -122.48 116.01 23.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.558 173.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -106.64 152.32 23.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.414 0.626 . . . . 0.0 112.495 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 61.43 -89.29 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.317 168.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -131.31 26.8 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 111.417 -173.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.64 3.76 23.55 Favored Glycine 0 CA--C 1.506 -0.494 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.743 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -64.48 104.61 0.81 Allowed 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 1.6 p -85.68 136.4 33.38 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.421 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 32.8 ttpt -120.0 116.13 25.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.962 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -141.83 175.89 9.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.06 0.457 . . . . 0.0 111.147 -173.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.554 HG22 HD12 ' A' ' 15' ' ' LEU . 54.5 mt -125.19 114.9 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.909 176.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -131.68 168.0 18.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.584 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 17.3 mtm180 -108.72 124.44 50.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.559 HG22 HG12 ' A' ' 11' ' ' ILE . 50.4 t -109.34 120.78 61.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -176.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 8.1 p -82.55 109.28 16.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.93 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.58 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 94.3 m-85 -87.77 124.24 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.843 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 p30 48.52 22.64 0.51 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.417 1.087 . . . . 0.0 113.169 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.54 -93.75 0.54 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.515 173.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.576 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -65.72 -55.75 21.69 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 34' ' ' PHE . 16.0 Cg_exo -67.54 95.15 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.483 2.122 . . . . 0.0 113.287 -173.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -97.58 98.83 10.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -99.71 174.5 6.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -88.38 136.76 32.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 44' ' ' ARG . 7.5 t70 -138.46 121.39 16.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.668 -176.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.482 HG12 HG12 ' A' ' 29' ' ' ILE . 56.3 mt -103.77 120.68 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.415 ' HB2' ' OD1' ' A' ' 42' ' ' ASP . 32.7 ttm180 -140.64 135.91 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -112.83 106.92 15.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.131 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -114.41 147.12 39.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.167 0.508 . . . . 0.0 112.168 -172.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.729 178.768 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.929 0.395 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.77 -175.2 33.56 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.437 HD13 HG22 ' B' ' 43' ' ' ILE . 20.9 tt -149.54 139.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -85.77 129.72 34.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.137 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.18 168.14 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.19 0.519 . . . . 0.0 111.313 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.0 m -127.18 178.33 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.197 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.25 -42.2 99.15 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 111.355 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.02 -49.93 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.5 0.667 . . . . 0.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -61.16 -45.1 96.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.031 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.684 ' HA ' ' HE2' ' A' ' 67' ' ' MET . 0.2 OUTLIER -58.86 -49.7 76.75 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.007 -179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -58.79 -42.49 89.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.31 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -57.7 -47.05 83.45 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.448 0.468 . . . . 0.0 110.634 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.684 ' HE2' ' HA ' ' A' ' 64' ' ' PHE . 39.7 mtm -58.5 -36.97 74.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.015 0.436 . . . . 0.0 110.652 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 64' ' ' PHE . 59.3 t -61.57 -56.52 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.483 -176.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.38 -43.42 66.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.089 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -63.06 -49.56 74.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.595 -176.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -74.77 -15.28 60.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 111.032 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.623 ' HB2' ' O ' ' A' ' 68' ' ' VAL . 81.1 tttt -67.42 -33.17 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.88 -16.61 18.85 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.197 -178.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -93.65 -53.31 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.139 0.469 . . . . 0.0 111.521 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.675 HD23 HG21 ' B' ' 68' ' ' VAL . 21.2 tp -95.67 126.9 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 0.0 111.325 -172.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HB2' ' OE1' ' B' ' 65' ' ' GLN . 4.3 tp10 . . . . . 0 N--CA 1.465 0.303 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.613 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' B' ' 33' ' ' SER . 22.4 p90 -109.64 126.86 54.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.42 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -151.51 153.14 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.88 128.05 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.881 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -105.57 -34.51 7.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.761 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -153.07 139.03 18.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.665 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -112.36 133.86 54.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.531 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.24 -53.95 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.623 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -131.27 99.12 4.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.752 -170.428 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -81.36 97.57 7.77 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.578 HD23 HD12 ' B' ' 16' ' ' LEU . 90.4 mt -67.32 -68.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.076 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p 174.86 -174.95 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.81 0.693 . . . . 0.0 109.211 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 11.8 pt-20 -108.66 139.56 43.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.589 HD22 ' HG3' ' B' ' 22' ' ' GLU . 2.6 p-10 -116.15 156.46 26.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.151 0.5 . . . . 0.0 111.066 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.589 ' HG3' HD22 ' B' ' 21' ' ' ASN . 30.3 mt-10 59.01 20.09 7.88 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.558 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 62.16 98.83 0.03 OUTLIER 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.943 0.777 . . . . 0.0 111.451 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 -44.26 1.51 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.199 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -84.0 103.55 13.33 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.443 0.621 . . . . 0.0 110.412 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 4.8 m -86.54 138.29 31.84 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.039 -174.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.571 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 6.1 ttpm? -128.65 120.67 26.98 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.484 -173.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -142.97 158.42 43.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.8 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.64 HG12 HG12 ' B' ' 43' ' ' ILE . 43.9 mt -104.99 109.97 29.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -131.47 -176.9 4.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 74.6 mtp180 -110.94 116.1 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.53 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -104.94 123.1 58.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 49.7 m -84.81 131.78 34.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.152 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.44 101.04 10.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.173 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 70.23 -73.6 0.09 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.254 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.18 -82.95 1.58 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.576 -170.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 1.036 ' H ' ' HD2' ' B' ' 38' ' ' PRO . . . -132.44 -46.48 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -172.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 1.036 ' HD2' ' H ' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -48.97 112.23 0.61 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 123.083 2.522 . . . . 0.0 113.784 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -106.46 98.52 8.18 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.693 174.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 15.7 tptt -86.26 166.27 15.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.746 -173.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -90.37 129.94 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.515 ' CG ' ' HE ' ' B' ' 44' ' ' ARG . 7.9 t0 -142.37 139.77 31.83 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.461 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.64 HG12 HG12 ' B' ' 29' ' ' ILE . 41.9 mt -95.84 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.515 ' HE ' ' CG ' ' B' ' 42' ' ' ASP . 7.6 mmt180 -113.61 139.68 48.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.186 0.517 . . . . 0.0 112.297 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.47 107.46 16.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.828 170.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -107.96 151.29 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.406 0.622 . . . . 0.0 111.433 -174.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.211 -175.314 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLY . . . . . 0.403 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -167.91 -179.2 40.37 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.461 HD13 HG22 ' A' ' 43' ' ' ILE . 15.4 tt -147.7 127.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 0.0 110.699 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.0 m -86.86 135.81 33.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.568 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 81.2 mt -127.72 140.57 51.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -91.16 162.21 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -56.86 -38.28 72.5 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.36 -50.65 72.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.23 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -67.37 -35.14 78.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.966 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 75' ' ' LEU . 2.5 t80 -59.38 -50.55 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.408 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLN . . . . . 0.467 ' NE2' ' HB ' ' B' ' 68' ' ' VAL . 23.8 tp60 -65.82 -30.83 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.775 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.6 m -55.0 -47.87 74.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.643 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 20.7 ptt? -71.94 -37.73 69.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.843 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.678 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 95.5 t -58.67 -57.99 8.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.764 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.59 -46.84 83.53 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 120.744 0.307 . . . . 0.0 111.618 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -41.42 86.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 0.0 111.403 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 68' ' ' VAL . 20.7 m-30 -76.2 -15.05 60.12 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 28.1 mmtm -71.44 -32.43 68.33 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 171.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.21 -41.3 6.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.111 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -75.35 -61.27 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.817 0.309 . . . . 0.0 111.507 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.502 ' HB2' HG21 ' A' ' 68' ' ' VAL . 5.6 mp -88.69 162.72 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.468 0.47 0 O-C-N 123.928 0.768 . . . . 0.0 110.044 -176.673 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 35' ' ' ASN . 19.1 p . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -109.1 120.29 42.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.468 0.652 . . . . 0.0 111.042 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.724 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 2.8 mp0 -105.14 111.58 24.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.16 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -88.62 103.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -99.46 -32.64 11.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.271 -169.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 10.7 tp10 -143.82 141.14 30.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.625 0.25 . . . . 0.0 111.095 -172.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -107.26 99.04 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.65 -66.88 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 111.743 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.9 OUTLIER -134.38 114.63 13.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -171.626 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.6 m -87.24 107.12 18.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 16' ' ' LEU . 91.7 mt -71.43 -74.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.631 -177.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -165.66 162.5 18.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.912 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -105.57 141.78 36.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.227 0.536 . . . . 0.0 109.967 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -105.97 131.24 53.51 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.021 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 60.88 21.0 11.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.235 174.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.42 95.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.502 0.501 . . . . 0.0 111.222 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.47 -43.36 1.34 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.034 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.48 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 61.2 m95 -84.37 91.82 7.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.084 0.442 . . . . 0.0 110.056 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.499 ' HB ' ' HD1' ' A' ' 46' ' ' TRP . 17.1 m -85.89 137.19 32.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.385 -172.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -121.78 116.03 23.74 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.164 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.14 163.9 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.391 0.615 . . . . 0.0 111.435 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.574 HG12 HG12 ' A' ' 43' ' ' ILE . 58.3 mt -107.08 117.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.211 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -133.11 179.73 6.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 22.1 mtp85 -113.99 119.49 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 -177.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.79 131.4 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.963 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 23.3 t -95.84 146.93 24.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -123.21 112.27 17.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.791 0.329 . . . . 0.0 110.713 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.433 ' HA ' ' OG1' ' A' ' 8' ' ' THR . 84.0 m-20 64.53 22.96 12.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.514 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.8 81.15 0.77 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.198 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -152.84 175.08 3.16 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.2 Cg_exo -50.22 126.36 17.17 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.87 1.713 . . . . 0.0 111.199 171.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 112.41 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.038 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -82.71 172.0 13.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.656 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 30.2 m-85 -101.98 114.86 29.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.137 -173.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -117.3 133.87 55.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.096 0.474 . . . . 0.0 110.605 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.574 HG12 HG12 ' A' ' 29' ' ' ILE . 39.4 mt -113.65 104.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.545 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.595 ' HB3' ' HA3' ' A' ' 56' ' ' GLY . 18.7 ptp180 -141.9 176.6 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 112.005 -175.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.19 152.88 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.499 ' HD1' ' HB ' ' A' ' 26' ' ' THR . 66.7 m95 -108.13 130.96 55.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.234 0.25 0 O-C-N 123.665 0.603 . . . . 0.0 110.515 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt . . . . . 0 C--O 1.235 0.328 0 CA-C-O 121.365 0.603 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.595 ' HA3' ' HB3' ' A' ' 44' ' ' ARG . . . -179.06 153.53 12.57 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.593 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 13.9 tt -120.47 132.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.219 0.533 . . . . 0.0 111.118 -174.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -95.76 130.29 42.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.435 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.26 147.56 41.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.0 p -82.71 173.68 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.189 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.46 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 7.9 t30 -60.11 -43.48 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -56.49 -53.92 51.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.623 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.89 -44.54 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' A' ' 67' ' ' MET . 18.0 t80 -64.76 -48.34 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.265 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -65.33 -37.69 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -54.26 -53.21 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.436 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 20.6 ptt? -64.28 -37.47 87.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.657 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.65 HG21 HD23 ' B' ' 75' ' ' LEU . 56.0 t -58.83 -50.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.044 -178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 12.7 t70 -74.98 -40.81 60.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.043 0.449 . . . . 0.0 110.972 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB1' HD22 ' B' ' 16' ' ' LEU . . . -61.87 -44.46 96.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.277 -178.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' B' ' 29' ' ' ILE . 52.6 m-85 -78.16 -32.31 50.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.701 ' HB2' ' HG3' ' B' ' 72' ' ' LYS . 0.0 OUTLIER -65.89 -24.78 66.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.345 179.607 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.68 11.49 72.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.971 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -140.06 -50.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.528 0.664 . . . . 0.0 111.516 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 35.7 tp -120.11 21.18 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.591 0.234 . . . . 0.0 111.585 -171.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.706 ' HB2' ' HE2' ' B' ' 72' ' ' LYS . 12.7 pt-20 . . . . . 0 C--N 1.327 -0.405 0 O-C-N 122.017 -0.427 . . . . 0.0 110.765 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.504 ' HA ' ' O ' ' B' ' 33' ' ' SER . 32.9 p90 -106.82 123.43 48.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -117.37 145.86 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.734 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.0 mt -88.8 99.11 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -86.25 -32.22 21.25 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.27 137.6 16.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.153 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -105.45 108.23 19.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.484 HD12 HG22 ' B' ' 29' ' ' ILE . 94.5 mt -72.94 -71.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.398 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.414 HD22 ' HB1' ' A' ' 70' ' ' ALA . 2.7 pp -165.33 150.03 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.695 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.63 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 56.1 m -91.28 134.66 34.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.44 -53.33 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -170.45 157.99 6.24 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.473 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 3.3 tm-20 -127.05 103.29 7.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 171.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -116.8 176.74 4.98 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.355 0.597 . . . . 0.0 112.427 -171.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 70.69 -80.22 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.397 175.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -158.06 22.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.76 -0.08 5.75 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.961 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -75.06 96.81 3.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.872 0.844 . . . . 0.0 109.708 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' B' ' 45' ' ' ALA . 5.4 m -92.81 138.81 31.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.908 -172.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.43 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -119.33 120.77 37.91 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 174.46 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.63 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 11.5 pt-20 -155.56 171.42 19.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 111.162 178.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.747 HG12 HG12 ' B' ' 43' ' ' ILE . 47.5 mt -113.56 132.83 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.537 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -141.75 175.16 9.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -174.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.0 mtp85 -111.6 105.73 14.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.701 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.97 126.54 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.504 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 63.0 p -97.36 147.38 24.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.457 ' H ' ' HB3' ' B' ' 37' ' ' ALA . 95.8 m-85 -115.99 108.05 15.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.797 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 62.86 -80.59 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.084 0.865 . . . . 0.0 111.839 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.84 17.07 3.94 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.897 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' H ' ' B' ' 34' ' ' PHE . . . -71.08 154.23 94.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 C-N-CA 121.986 0.114 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 14.01 0.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.973 2.449 . . . . 0.0 113.215 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . 70.31 132.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.703 0.801 . . . . 0.0 112.314 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 33.4 mmtp -102.22 172.27 6.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.21 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -107.16 114.34 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.497 ' OD1' ' HB2' ' B' ' 44' ' ' ARG . 3.1 p30 -129.21 148.86 51.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 -178.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.747 HG12 HG12 ' B' ' 29' ' ' ILE . 33.2 mt -97.38 106.32 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.727 175.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.497 ' HB2' ' OD1' ' B' ' 42' ' ' ASP . 6.8 ttm180 -123.86 165.92 16.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.049 0.452 . . . . 0.0 111.333 -170.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' B' ' 26' ' ' THR . . . -117.87 132.76 56.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.691 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -108.85 152.52 24.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--N 1.327 -0.379 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.66 -173.086 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.593 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 14.9 ptpt . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.784 0.326 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 135.08 49.53 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.7 tt -120.39 137.47 54.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.101 0.477 . . . . 0.0 111.089 -170.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.423 HG23 ' HB3' ' B' ' 42' ' ' ASP . 12.8 m -93.59 143.89 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.455 -174.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.29 148.05 46.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.792 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.1 p -85.84 169.25 13.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -56.63 -44.28 81.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 0.0 111.144 -176.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -64.32 -47.76 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.636 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.12 -43.69 97.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.305 0.574 . . . . 0.0 110.351 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.53 ' O ' ' HG2' ' B' ' 67' ' ' MET . 23.3 t80 -60.4 -48.25 82.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -55.68 -44.02 76.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.81 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.51 ' HA ' ' OD2' ' B' ' 69' ' ' ASP . 23.4 m -61.73 -42.91 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.238 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 12.9 ptt? -65.37 -33.12 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.01 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.508 HG21 HD23 ' A' ' 75' ' ' LEU . 85.8 t -67.32 -50.51 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.51 ' OD2' ' HA ' ' B' ' 66' ' ' THR . 1.9 p30 -75.0 -38.42 61.61 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.767 -173.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.628 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -69.68 -40.77 76.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.418 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.41 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 9.9 m-85 -71.24 -30.96 66.96 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.896 177.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.706 ' HE2' ' HB2' ' A' ' 76' ' ' GLU . 6.3 ttmt -58.97 -37.74 77.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.175 0.512 . . . . 0.0 110.112 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.56 18.49 57.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -133.44 -77.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.05 0.425 . . . . 0.0 111.056 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.65 HD23 HG21 ' A' ' 68' ' ' VAL . 54.0 tp -72.33 121.16 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.755 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.332 -0.192 0 O-C-N 124.206 0.941 . . . . 0.0 111.224 177.317 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.445 -0.685 0 CA-C-O 121.029 0.442 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.453 ' HA ' ' O ' ' A' ' 33' ' ' SER . 25.6 p90 -120.02 119.86 34.64 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.069 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 1.0 OUTLIER -129.52 153.37 48.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.421 -176.121 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.5 mt -96.39 91.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.237 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -77.54 -45.0 26.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.583 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -139.26 138.3 36.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.345 0.593 . . . . 0.0 111.922 -173.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.36 142.42 27.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.615 171.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.562 HD12 HG22 ' A' ' 29' ' ' ILE . 95.6 mt -87.02 -54.35 4.38 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.1 pt? -166.29 135.26 3.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.983 173.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.544 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 41.0 m -83.75 119.71 25.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.68 -77.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.659 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -165.0 166.91 18.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.134 0.492 . . . . 0.0 110.328 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 33.5 tt0 -92.24 146.29 23.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.312 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -112.43 158.46 19.82 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.5 mp0 -51.96 150.66 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.74 0.65 . . . . 0.0 112.39 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 1.5 mptm? 74.19 5.7 4.68 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.296 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 60.61 1.66 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.043 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -134.67 109.15 8.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 5.4 m -85.42 138.21 32.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -125.14 125.77 44.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.947 0.403 . . . . 0.0 110.056 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.544 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 21.1 pt-20 -148.74 172.53 14.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.957 -175.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.562 HG22 HD12 ' A' ' 15' ' ' LEU . 52.8 mt -112.95 123.49 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.545 ' H ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -136.25 175.08 9.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.251 -171.278 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -114.74 124.77 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.592 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.08 130.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.453 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.537 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 46.1 m -95.05 144.59 25.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.166 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.11 98.21 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.573 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 m120 54.73 25.48 6.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.325 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -170.42 174.61 44.42 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.783 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.22 -47.43 20.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 75.2 Cg_exo -48.7 104.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.948 2.432 . . . . 0.0 112.965 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB2' ' OG ' ' A' ' 33' ' ' SER . . . -104.6 121.46 43.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.787 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -97.35 174.58 6.63 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.502 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.517 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 24.4 m-85 -81.71 135.49 35.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.407 -167.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -144.36 134.78 24.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.44 HG22 HD13 ' B' ' 57' ' ' ILE . 56.4 mt -111.6 118.0 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ttp-105 -147.68 150.2 33.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.229 0.538 . . . . 0.0 111.745 -171.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.89 132.98 54.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.335 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -156.84 154.49 29.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.583 0.23 . . . . 0.0 111.147 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 CA--C 1.538 0.503 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 175.073 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mttp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.159 0.504 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.85 150.27 21.6 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.6 127.71 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.365 0.602 . . . . 0.0 110.844 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.9 m -97.03 132.66 42.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.35 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.24 146.4 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.974 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.588 ' HB2' ' OE1' ' A' ' 63' ' ' GLU . 14.5 m -86.0 168.99 13.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.517 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 25.0 p-10 -55.33 -41.43 72.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.089 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.91 -58.56 7.46 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.588 ' OE1' ' HB2' ' A' ' 60' ' ' SER . 1.8 mp0 -60.09 -43.94 95.17 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.494 ' O ' ' HG2' ' A' ' 67' ' ' MET . 24.0 t80 -64.7 -45.07 88.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.464 ' OE1' ' HB3' ' B' ' 76' ' ' GLU . 6.2 tp-100 -62.68 -45.01 94.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.248 175.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.7 m -58.53 -47.48 84.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 11.4 ptt? -61.92 -37.37 84.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.329 . . . . 0.0 110.177 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.736 HG21 HD22 ' B' ' 75' ' ' LEU . 29.2 t -65.17 -40.69 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.731 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.94 -50.96 72.08 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.325 0.583 . . . . 0.0 109.744 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.37 94.48 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.431 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.439 ' HZ ' HG21 ' B' ' 29' ' ' ILE . 14.7 m-85 -73.7 -26.14 60.57 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 17.0 pttm -85.55 -4.94 59.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.652 173.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.92 -12.63 55.17 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.002 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -144.34 -171.27 3.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 117.555 0.677 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.41 ' CD2' HG21 ' B' ' 68' ' ' VAL . 32.3 tp 69.57 -63.97 0.36 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.674 0.789 . . . . 0.0 111.985 175.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 121.939 0.876 . . . . 0.0 109.384 177.951 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.445 -0.675 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.463 ' HB2' ' CG1' ' B' ' 32' ' ' VAL . 38.5 p90 -125.29 145.7 49.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.812 -178.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -130.85 143.86 51.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.909 0.385 . . . . 0.0 110.571 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -79.57 103.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.624 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 63.3 mm-40 -72.01 -43.7 64.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.456 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -147.05 114.42 6.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.442 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.51 HD12 HG22 ' B' ' 29' ' ' ILE . 96.0 mt -75.11 -63.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.455 -174.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 67' ' ' MET . 75.5 mt -143.99 143.84 31.4 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.533 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 17.0 m -106.38 102.53 11.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 166.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.533 HD11 HD11 ' B' ' 29' ' ' ILE . 68.4 mt -81.48 -58.33 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -169.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -157.75 165.17 36.06 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.741 -0.784 . . . . 0.0 112.946 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.588 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 0.2 OUTLIER -132.9 129.71 38.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 164.481 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.488 ' HB3' ' HB2' ' B' ' 25' ' ' TRP . 28.5 t-20 -95.09 124.54 39.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.939 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.457 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 12.7 mm-40 54.21 34.92 21.37 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 124.005 0.816 . . . . 0.0 110.014 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.7 tttp 42.36 73.34 0.14 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.238 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.6 -60.53 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.198 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.488 ' HB2' ' HB3' ' B' ' 21' ' ' ASN . 81.0 m95 -82.85 96.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.982 0.42 . . . . 0.0 109.924 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.588 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 75.7 p -86.59 168.74 13.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.475 -175.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 8.0 ttpm? -146.83 113.72 6.12 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 5.3 mp0 -124.05 166.49 15.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.149 -173.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.533 HD11 HD11 ' B' ' 18' ' ' LEU . 62.0 mt -127.61 133.36 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.079 176.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -157.48 161.15 38.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.57 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 60.8 mtm180 -98.19 125.93 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.435 174.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' B' ' 9' ' ' PHE . 47.1 t -117.75 135.73 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.259 -174.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.3 p -103.14 139.43 38.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.806 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -111.83 107.28 16.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 62.13 -78.81 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.828 0.705 . . . . 0.0 111.495 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.2 35.93 1.13 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.31 153.26 41.28 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 147.66 55.82 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.041 2.494 . . . . 0.0 112.331 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -63.73 119.68 10.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.708 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -105.63 168.49 9.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.741 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.558 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 75.7 m-85 -96.3 130.29 43.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -119.07 120.07 36.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.103 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.508 HD13 HG23 ' B' ' 29' ' ' ILE . 18.8 mm -106.23 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -146.02 144.95 30.4 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.171 -168.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -100.72 148.63 24.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.969 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -125.23 145.08 50.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.2 p . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.453 179.623 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.728 0.299 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.74 179.39 40.62 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.648 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 43' ' ' ILE . 19.7 tt -139.42 137.11 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.058 0.456 . . . . 0.0 110.817 -178.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 19.4 m -93.02 131.57 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.55 140.13 45.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.073 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.8 m -74.72 159.29 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.201 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.558 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 9.9 m120 -60.08 -38.62 83.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -177.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' B' ' 62' ' ' GLU . 30.8 mp0 -70.16 -46.97 63.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.459 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.93 -38.69 86.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.311 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.415 ' O ' ' HG2' ' B' ' 67' ' ' MET . 36.8 t80 -63.92 -46.25 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.426 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -58.7 -40.78 84.64 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 109.818 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.5 m -58.67 -50.73 72.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.643 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.618 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.4 ptt? -64.54 -39.79 94.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.657 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 42.6 t -61.52 -43.41 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.23 -176.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.61 ' HA ' ' HG2' ' B' ' 72' ' ' LYS . 36.8 t70 -66.48 -35.55 80.56 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.063 0.459 . . . . 0.0 110.659 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.88 74.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.417 ' HB3' HG22 ' A' ' 68' ' ' VAL . 20.6 m-85 -81.39 -32.56 32.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.663 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.61 ' HG2' ' HA ' ' B' ' 69' ' ' ASP . 9.5 ptmm? -72.43 -15.3 61.83 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.53 37.5 1.62 Allowed Glycine 0 CA--C 1.522 0.512 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.707 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 76.89 96.98 0.07 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.849 0.86 . . . . 0.0 112.518 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.736 HD22 HG21 ' A' ' 68' ' ' VAL . 16.6 tp -107.02 -48.9 3.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.451 172.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.518 ' H ' ' CD ' ' B' ' 76' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.332 -175.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -130.72 141.22 50.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.894 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -143.5 144.23 31.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.19 123.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 0.0 110.502 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.07 -56.92 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -146.27 121.07 9.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.663 -171.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -95.54 129.62 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 172.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 mt -94.83 -34.93 12.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.85 -169.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.8 OUTLIER -152.45 116.51 4.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -171.687 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.634 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 52.2 m -92.13 116.76 29.22 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 16' ' ' LEU . 95.3 mt -88.87 -68.78 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.966 -171.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -152.32 174.76 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.501 0.667 . . . . 0.0 112.671 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -124.76 114.41 19.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.446 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.564 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 15.9 m120 -96.18 177.81 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.495 -172.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 1.6 mp0 -47.33 140.05 5.87 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.702 -1.136 . . . . 0.0 112.118 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 tptp 73.24 7.2 5.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.531 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.92 27.68 25.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.364 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.0 m0 -88.19 105.89 17.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.7 m -85.84 138.21 32.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.899 0.381 . . . . 0.0 110.079 -174.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HE3' ' OD1' ' A' ' 21' ' ' ASN . 37.4 ttmt -118.51 120.3 37.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.801 -175.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.634 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 15.2 pt-20 -157.8 169.23 25.08 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.415 0.626 . . . . 0.0 111.514 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.545 HG12 HG23 ' A' ' 43' ' ' ILE . 67.4 mt -109.84 124.61 66.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.336 -175.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 14' ' ' HIS . 7.2 p30 -143.57 174.57 10.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.997 0.427 . . . . 0.0 111.436 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 69.3 mtp180 -114.71 123.4 49.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.184 178.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.53 132.98 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 t -92.98 125.84 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.48 98.59 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.588 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 65.52 -82.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.982 0.801 . . . . 0.0 110.819 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.18 66.95 0.4 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.09 159.09 57.23 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.81 129.76 36.89 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.623 2.215 . . . . 0.0 111.844 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -56.68 108.77 0.53 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.421 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -81.7 148.96 28.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.113 -175.874 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -76.89 128.76 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.236 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 44' ' ' ARG . 10.1 t70 -137.12 123.4 20.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.958 0.409 . . . . 0.0 110.582 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.723 HG22 HD13 ' B' ' 57' ' ' ILE . 55.6 mt -100.86 105.18 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 42' ' ' ASP . 13.4 ptp180 -139.31 156.35 47.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 112.26 -170.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.86 121.18 40.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.228 -0.897 . . . . 0.0 108.918 168.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -108.03 173.26 6.4 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.735 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.562 -170.047 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 121.992 0.901 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.56 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -175.72 170.63 43.64 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.593 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.8 tt -145.76 141.02 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 117.273 0.537 . . . . 0.0 111.258 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.494 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 6.1 m -90.18 135.36 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.94 153.53 35.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.152 0.501 . . . . 0.0 111.048 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -85.05 162.89 19.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.036 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -57.15 -42.95 81.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.198 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -59.74 -47.38 85.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.094 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HB3' HD13 ' B' ' 18' ' ' LEU . 38.6 mt-10 -64.63 -43.98 91.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.807 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.573 ' HD2' HD21 ' B' ' 75' ' ' LEU . 7.0 t80 -57.76 -51.39 69.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.65 -176.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -62.14 -38.2 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.6 m -59.41 -46.65 88.11 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.62 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 23.2 ptt? -67.7 -34.62 77.26 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.396 -177.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 64' ' ' PHE . 90.8 t -57.97 -50.17 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.803 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.43 -40.84 89.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.254 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.72 96.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.481 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -88.1 -10.08 51.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.121 0.486 . . . . 0.0 110.892 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 77.9 tttt -66.27 -33.44 75.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 171.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.97 -43.52 2.6 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.874 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 34.4 m-80 -99.95 154.48 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -177.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.471 HD23 HG21 ' B' ' 68' ' ' VAL . 39.2 tp 73.99 -39.62 0.43 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.188 0.595 . . . . 0.0 111.559 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.49 0.662 . . . . 0.0 109.26 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -105.89 119.22 38.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.143 0.497 . . . . 0.0 110.002 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -100.27 127.16 46.61 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.5 mt -81.5 103.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -75.92 -66.6 0.77 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.558 -174.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.49 ' HB3' HH11 ' B' ' 31' ' ' ARG . 37.2 tt0 -151.56 131.82 13.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.964 -173.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -81.03 116.01 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.523 HD12 HG22 ' B' ' 29' ' ' ILE . 41.1 mt -70.45 -54.86 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.347 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -165.44 153.63 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.654 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.444 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 21.7 m -98.8 136.43 38.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.819 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 63' ' ' GLU . 87.7 mt -92.31 -69.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.736 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -170.56 -177.37 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 12.6 pt-20 -114.75 136.12 53.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.562 0.696 . . . . 0.0 110.202 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 8.9 t30 -94.97 141.94 28.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.658 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 59.28 -91.27 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.141 0 O-C-N 124.283 0.99 . . . . 0.0 109.704 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -158.76 110.06 2.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 173.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.62 -20.14 46.54 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.508 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.438 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 50.1 m95 -76.56 81.23 3.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 117.814 0.807 . . . . 0.0 109.63 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 18.1 m -85.07 137.47 33.03 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.224 0.535 . . . . 0.0 110.761 -169.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HE2' ' O ' ' A' ' 58' ' ' THR . 2.8 ttmp? -115.19 121.65 43.62 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.47 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 0.1 OUTLIER -144.7 171.58 14.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.595 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.523 HG22 HD12 ' B' ' 15' ' ' LEU . 37.7 mt -119.35 117.21 53.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.19 159.37 33.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.225 0.535 . . . . 0.0 110.707 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.49 HH11 ' HB3' ' B' ' 13' ' ' GLU . 13.4 ttm105 -93.2 119.21 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.09 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -110.97 135.2 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.912 0.386 . . . . 0.0 110.716 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -103.67 106.6 17.16 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -88.58 119.62 29.21 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.306 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 72.26 -62.1 0.47 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.135 0.897 . . . . 0.0 112.61 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.45 -147.61 8.55 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.854 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.713 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -79.92 -37.18 1.09 Allowed Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 10.0 Cg_endo -51.14 104.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.501 2.134 . . . . 0.0 112.822 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.417 ' CB ' ' HD3' ' B' ' 31' ' ' ARG . . . -88.84 142.45 27.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.668 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -119.72 176.97 5.13 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.532 ' O ' ' HB2' ' B' ' 59' ' ' LEU . 29.8 m-85 -122.29 113.8 19.92 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -122.44 134.51 54.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.236 0.541 . . . . 0.0 111.06 -171.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 29' ' ' ILE . 56.0 mt -91.19 114.43 28.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.366 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -123.5 148.9 45.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.374 0.607 . . . . 0.0 112.005 -173.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.97 127.07 51.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.048 172.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -108.25 124.62 50.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.042 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.112 179.373 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 121.141 0.496 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.32 -140.47 7.13 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.723 HD13 HG22 ' A' ' 43' ' ' ILE . 15.6 tt -141.82 135.6 29.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -89.75 139.27 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.26 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' B' ' 41' ' ' PHE . 90.4 mt -135.51 131.81 36.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.127 0.489 . . . . 0.0 110.795 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.0 p -91.63 179.43 5.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.118 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.18 -52.88 62.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.629 -173.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.09 -44.72 91.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.286 -176.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.32 -44.45 96.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.251 0.548 . . . . 0.0 110.44 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.475 ' O ' HG23 ' B' ' 68' ' ' VAL . 9.3 t80 -69.56 -45.45 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.873 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -43.06 86.77 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 177.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.1 m -58.03 -40.38 80.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.438 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.47 ' HB3' ' O ' ' B' ' 64' ' ' PHE . 13.7 tmm? -57.77 -41.41 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.625 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 64' ' ' PHE . 90.6 t -60.47 -63.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.249 -175.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.45 -36.02 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.557 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -63.52 -48.06 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.488 ' HB3' HG22 ' A' ' 68' ' ' VAL . 12.8 m-85 -76.0 -30.61 58.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.22 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 76.7 tttt -50.2 -39.67 44.91 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.817 0.698 . . . . 0.0 110.629 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.1 41.98 2.05 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.331 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -141.77 -40.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.573 HD21 ' HD2' ' A' ' 64' ' ' PHE . 5.5 mp -101.25 -172.46 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.597 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' B' ' 75' ' ' LEU . 33.3 tt0 . . . . . 0 N--CA 1.462 0.143 0 O-C-N 124.173 0.921 . . . . 0.0 110.181 -176.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.445 -0.702 0 CA-C-O 121.022 0.439 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.622 ' HA ' ' O ' ' A' ' 33' ' ' SER . 48.5 p90 -147.41 131.06 16.87 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -153.81 144.36 22.42 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.68 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.562 HG12 HG22 ' A' ' 32' ' ' VAL . 62.7 mt -75.92 105.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.115 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.56 -50.5 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.994 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -133.2 146.9 51.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.54 113.69 26.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 29' ' ' ILE . 95.2 mt -68.56 -70.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.549 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.89 137.76 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 176.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.553 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 11.4 m -73.43 137.42 44.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.637 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 79.7 mt -93.67 -80.26 0.39 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.776 0.322 . . . . 0.0 110.569 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' B' ' 63' ' ' GLU . 59.1 m -162.45 156.72 21.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.756 -175.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 0.7 OUTLIER -101.24 145.12 29.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.296 0.569 . . . . 0.0 110.764 176.35 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.89 145.13 42.52 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.25 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HB3' ' HD1' ' A' ' 25' ' ' TRP . 24.2 tt0 62.97 17.84 10.4 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.011 0.434 . . . . 0.0 111.38 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt 57.17 90.39 0.04 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.4 -46.94 1.04 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.148 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.5 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 83.7 m95 -77.11 91.63 3.71 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 15.7 m -86.18 137.8 32.37 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.013 0.435 . . . . 0.0 110.544 -173.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HG3' HD11 ' B' ' 57' ' ' ILE . 14.9 ttmm -104.61 116.72 32.55 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.553 ' HG3' ' HA ' ' A' ' 17' ' ' THR . 36.1 tt0 -137.7 152.23 49.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.964 -177.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 15' ' ' LEU . 53.1 mt -109.82 113.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.174 0.512 . . . . 0.0 109.946 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -121.12 176.44 5.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.308 -176.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -120.79 124.71 45.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.245 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.562 HG22 HG12 ' A' ' 11' ' ' ILE . 46.0 t -115.25 131.11 68.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.622 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 27.2 t -83.71 133.07 34.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -122.53 97.62 5.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.735 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 51.47 85.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.742 0.651 . . . . 0.0 112.484 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.6 -107.73 0.64 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.836 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.983 ' H ' ' HD2' ' A' ' 38' ' ' PRO . . . -148.61 -42.48 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.983 ' HD2' ' H ' ' A' ' 37' ' ' ALA . 9.3 Cg_endo -52.63 105.71 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.721 2.28 . . . . 0.0 112.693 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.28 98.59 11.04 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.736 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -74.74 163.22 27.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -87.08 132.96 33.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.812 -173.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' OD2' ' HD2' ' A' ' 44' ' ' ARG . 15.1 t70 -130.89 109.93 10.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.272 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.515 HG23 HG12 ' A' ' 29' ' ' ILE . 53.0 mt -91.0 105.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' HD2' ' OD2' ' A' ' 42' ' ' ASP . 17.4 ttt85 -127.03 156.35 41.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.345 0.593 . . . . 0.0 112.385 -163.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.83 137.38 42.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.654 171.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.5 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 29.9 m95 -107.85 136.38 47.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.141 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.358 -179.026 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 167.77 157.53 11.03 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.707 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.56 HD13 HG22 ' B' ' 43' ' ' ILE . 16.7 tt -154.54 131.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.938 0.399 . . . . 0.0 110.443 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 p -88.0 134.67 33.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.479 HD12 ' HD1' ' A' ' 64' ' ' PHE . 79.1 mt -118.8 137.3 53.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.151 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.521 ' HB2' ' HG3' ' A' ' 63' ' ' GLU . 6.3 m -73.91 161.55 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -53.74 -49.12 68.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.404 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.81 -46.64 87.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.521 ' HG3' ' HB2' ' A' ' 60' ' ' SER . 32.2 mt-10 -64.46 -42.77 95.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.725 -176.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.599 ' O ' ' HG3' ' A' ' 67' ' ' MET . 43.2 t80 -63.76 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.138 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -44.22 90.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.652 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 85.6 m -53.91 -43.96 70.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.032 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -73.6 -29.71 62.55 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.259 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.694 HG21 HD23 ' B' ' 75' ' ' LEU . 35.3 t -63.61 -46.12 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.724 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -74.56 -32.83 62.54 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.259 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.27 77.94 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.497 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' HB3' HG13 ' B' ' 68' ' ' VAL . 26.2 m-85 -75.05 -17.02 60.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.898 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 79.0 tttt -65.15 -33.33 75.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.529 0.68 . . . . 0.0 109.286 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.47 -27.49 43.14 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.7 -176.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -128.37 171.48 11.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.753 0.777 . . . . 0.0 111.887 -173.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HG21 ' B' ' 68' ' ' VAL . 25.6 tp 72.36 -8.83 1.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.742 0.817 . . . . 0.0 112.069 176.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.59 0.709 . . . . 0.0 111.076 -178.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -124.61 120.42 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.137 0.494 . . . . 0.0 110.13 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.97 114.43 26.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.001 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.424 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -74.19 104.03 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -89.03 -65.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.362 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' B' ' 31' ' ' ARG . 38.5 tt0 -128.52 147.34 50.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.118 -170.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -105.13 113.1 26.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.54 HD12 HG22 ' B' ' 29' ' ' ILE . 97.2 mt -70.35 -57.97 4.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.5 138.56 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.547 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.938 HG23 ' HG2' ' B' ' 28' ' ' GLU . 91.6 m -86.15 114.44 23.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.497 HD21 ' HB3' ' A' ' 67' ' ' MET . 94.5 mt -67.34 -71.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -179.27 161.01 1.06 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.86 -174.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -103.17 140.11 37.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.234 0.54 . . . . 0.0 110.168 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -92.57 144.43 25.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.85 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 58.19 -92.29 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 O-C-N 124.168 0.917 . . . . 0.0 109.593 -172.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -172.09 84.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -34.91 1.8 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.972 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -72.62 83.21 1.14 Allowed 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.524 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.3 m -86.12 137.26 32.8 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.136 -171.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' B' ' 44' ' ' ARG . 7.3 ttpm? -128.29 117.28 21.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.104 -171.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.938 ' HG2' HG23 ' B' ' 17' ' ' THR . 24.6 mt-10 -134.35 163.81 28.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.67 -172.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.54 HG22 HD12 ' B' ' 15' ' ' LEU . 51.4 mt -117.74 116.02 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -123.34 -176.16 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.544 . . . . 0.0 111.23 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 33.9 mtm180 -126.82 101.93 6.81 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.192 168.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' B' ' 11' ' ' ILE . 76.3 t -106.97 135.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.05 0.452 . . . . 0.0 111.132 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -90.54 136.24 33.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.285 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.61 121.6 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.829 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 63.33 -82.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.894 0.746 . . . . 0.0 111.292 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.04 10.85 1.38 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.2 154.64 51.97 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.37 158.08 32.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.583 2.188 . . . . 0.0 112.31 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' B' ' 31' ' ' ARG . . . -61.42 118.98 7.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.058 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 69.8 mmtt -101.55 161.57 13.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.383 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.443 ' HD1' HD11 ' B' ' 15' ' ' LEU . 8.6 m-85 -85.07 114.79 22.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 -173.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -116.51 141.19 48.5 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.189 0.519 . . . . 0.0 111.067 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.56 HG22 HD13 ' A' ' 57' ' ' ILE . 55.7 mt -104.83 104.6 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 45.0 ttt180 -114.81 128.76 56.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.64 -168.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.28 108.58 14.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 31.5 p-90 -108.39 133.87 51.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.214 0.53 . . . . 0.0 111.365 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.535 179.613 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.5 mttt . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLY . . . . . 0.552 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 153.56 -162.96 30.57 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -176.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.477 HG22 HG22 ' A' ' 57' ' ' ILE . 12.1 tt -151.55 142.93 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.099 0.449 . . . . 0.0 111.041 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.2 m -106.0 142.21 36.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mp -120.69 148.31 44.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.488 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 33.0 t -96.86 -173.39 2.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.972 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -64.06 -49.59 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -66.34 -57.09 8.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 2.5 pm0 -61.54 -35.45 77.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.744 -176.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.73 -45.84 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.836 0.351 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -32.65 74.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -63.31 -50.29 70.62 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.178 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -67.45 -37.74 83.43 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.821 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.55 HG13 ' HB3' ' A' ' 71' ' ' PHE . 42.1 t -60.77 -55.6 23.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.181 -176.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -52.76 -46.79 67.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 123.319 0.387 . . . . 0.0 110.715 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.82 -58.93 6.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.4 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.427 ' HB3' HG13 ' A' ' 68' ' ' VAL . 34.4 m-85 -67.38 -30.25 69.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.169 -177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.898 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 44.5 tttm -59.54 -28.06 66.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.244 0.545 . . . . 0.0 110.175 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.07 81.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.73 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -158.37 -178.08 7.02 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.915 1.357 . . . . 0.0 112.814 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 68' ' ' VAL . 50.4 tp 71.42 -57.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.568 1.147 . . . . 0.0 113.245 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.802 0.334 . . . . 0.0 110.209 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 45.4 p90 -120.44 138.78 53.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.181 0.515 . . . . 0.0 111.215 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.4 145.95 41.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.954 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.74 122.43 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.189 0.518 . . . . 0.0 110.958 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.506 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 14.2 mm-40 -88.59 -50.51 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.863 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.518 ' OE1' ' HD3' ' A' ' 31' ' ' ARG . 51.4 tt0 -146.35 144.73 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.787 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -96.91 116.34 29.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.569 HD12 HG22 ' A' ' 29' ' ' ILE . 92.8 mt -71.54 -55.54 7.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.075 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.0 OUTLIER -169.05 144.45 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.203 175.018 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -84.52 110.09 18.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.471 HD12 ' HG2' ' A' ' 27' ' ' LYS . 88.8 mt -62.13 -75.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.453 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 66.6 m -165.83 155.63 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 35.1 tt0 -100.2 132.05 45.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.624 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.73 123.21 44.61 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.502 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 41.67 42.58 2.12 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.687 1.242 . . . . 0.0 113.547 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 63.05 106.04 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.841 0.713 . . . . 0.0 111.731 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.89 -48.54 0.93 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.951 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -78.65 79.97 5.04 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.134 0.467 . . . . 0.0 110.241 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.501 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 5.9 m -91.89 137.73 32.13 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.736 -173.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.71 ' HE2' ' HB3' ' B' ' 59' ' ' LEU . 4.2 ttmp? -116.95 125.57 51.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.706 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.7 tt0 -147.98 152.59 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.215 -175.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.569 HG22 HD12 ' A' ' 15' ' ' LEU . 50.4 mt -109.47 123.33 65.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -124.14 161.59 25.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 0.0 111.768 -170.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.642 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 42.5 mtp-105 -99.93 108.62 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 168.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 53.0 t -114.12 132.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -173.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 p -89.22 132.39 34.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -113.71 101.09 8.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -173.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 t30 57.59 30.31 18.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.165 169.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.76 -16.54 23.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.305 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.42 149.48 75.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 157.93 14.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.955 2.437 . . . . 0.0 112.802 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.506 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -66.93 106.56 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.071 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 8.8 mtpm? -84.37 162.82 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.738 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' HD1' HD11 ' A' ' 15' ' ' LEU . 44.6 m-85 -91.08 112.91 25.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -137.4 140.22 41.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.968 0.413 . . . . 0.0 110.764 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.516 HG23 HG12 ' A' ' 29' ' ' ILE . 59.6 mt -98.74 130.18 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.113 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -147.07 172.25 14.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.363 0.602 . . . . 0.0 111.497 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.66 135.71 46.01 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.501 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 38.5 p-90 -111.17 131.42 55.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.532 0.682 . . . . 0.0 110.704 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.014 -175.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt . . . . . 0 C--O 1.237 0.407 0 CA-C-O 121.26 0.553 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.78 -159.39 31.34 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.481 HD13 HG22 ' B' ' 43' ' ' ILE . 19.2 tt -133.16 134.13 57.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.071 0.462 . . . . 0.0 110.457 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 p -94.45 138.88 31.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.335 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -128.02 147.73 50.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.297 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.63 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 40.1 t -77.99 153.27 32.57 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 170.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.18 -32.64 66.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.26 0.553 . . . . 0.0 110.665 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.04 -44.71 60.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.63 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 46.4 mt-10 -63.07 -40.17 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.25 0.548 . . . . 0.0 109.866 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.538 ' O ' ' HG3' ' A' ' 67' ' ' MET . 32.3 t80 -59.71 -52.82 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.297 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -58.35 -37.11 74.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.691 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.3 m -57.26 -50.74 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.404 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.538 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -71.35 -33.13 69.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.734 -178.727 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.538 HG21 HD22 ' B' ' 75' ' ' LEU . 78.0 t -60.43 -51.59 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.98 0.419 . . . . 0.0 110.451 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.96 -43.88 91.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.657 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -68.15 -45.32 73.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.97 -178.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.467 ' CE1' HD23 ' B' ' 16' ' ' LEU . 17.2 m-85 -74.32 -24.55 59.23 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.709 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 48.1 tttm -75.13 -25.94 58.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.46 . . . . 0.0 109.906 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.25 -49.9 4.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.137 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -90.17 -167.37 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.875 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 16.8 tp 51.36 -151.87 0.23 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.351 0.407 . . . . 0.0 110.011 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.875 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 18.1 tp10 . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 121.961 0.886 . . . . 0.0 109.425 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' B' ' 33' ' ' SER . 39.1 p90 -153.42 142.44 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -143.94 151.25 39.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.415 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -75.54 109.68 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 0.8 OUTLIER -80.97 -45.23 16.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.079 -176.365 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.432 ' HB3' ' HD3' ' B' ' 31' ' ' ARG . 39.7 tt0 -161.94 117.9 2.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -89.25 121.8 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 0.0 109.676 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.65 -52.9 4.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.761 -172.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.509 HD12 HD23 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -132.38 102.92 5.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -174.121 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -84.84 94.63 8.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 172.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.509 HD23 HD12 ' B' ' 16' ' ' LEU . 90.7 mt -68.51 -75.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.424 -171.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -171.1 171.65 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.807 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -110.92 139.58 46.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.654 0.74 . . . . 0.0 110.26 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.429 HD21 ' HB2' ' B' ' 27' ' ' LYS . 30.6 m-80 -81.79 164.54 21.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.078 -176.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -45.35 -38.09 5.5 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -81.62 12.2 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.313 . . . . 0.0 111.535 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.72 22.77 65.91 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -93.87 127.84 39.83 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 -174.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.23 137.27 32.75 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -173.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HB2' HD21 ' B' ' 21' ' ' ASN . 36.1 ttpt -127.83 117.72 22.36 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -146.97 171.99 14.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.754 0.788 . . . . 0.0 112.099 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.518 HG12 HG23 ' B' ' 43' ' ' ILE . 69.2 mt -124.8 126.02 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.493 -1.231 . . . . 0.0 109.653 178.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.409 HD21 HG23 ' B' ' 11' ' ' ILE . 25.1 p-10 -154.1 172.96 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.313 0.578 . . . . 0.0 112.52 -173.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 16.4 mtp180 -100.54 128.76 46.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.87 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 37.0 t -121.03 135.61 60.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 11.1 p -88.8 121.98 31.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -109.71 114.34 27.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 p30 44.8 33.67 1.03 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.513 1.125 . . . . 0.0 113.764 173.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.26 -138.28 6.36 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.313 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.651 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -70.48 -46.99 19.05 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.9 Cg_endo -52.35 107.17 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.027 2.485 . . . . 0.0 113.795 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -115.15 105.76 13.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 171.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 11.4 ptmm? -119.77 -179.5 3.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.184 0.516 . . . . 0.0 112.035 -170.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.534 ' HE2' HD21 ' B' ' 59' ' ' LEU . 23.0 t80 -83.61 128.29 34.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.57 -178.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.436 ' OD2' HG22 ' B' ' 58' ' ' THR . 4.6 m-20 -142.92 137.26 29.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.395 . . . . 0.0 110.928 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.518 HG23 HG12 ' B' ' 29' ' ' ILE . 15.7 mt -103.31 128.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -141.36 150.46 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.45 -171.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.89 109.46 12.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.863 167.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 7.5 p-90 -116.79 160.85 20.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.087 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.174 -176.38 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.5 -166.81 35.5 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.9 tt -155.24 138.02 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 117.063 0.432 . . . . 0.0 110.507 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.436 HG22 ' OD2' ' B' ' 42' ' ' ASP . 68.9 p -102.78 126.32 49.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.017 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.71 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.6 pt? -146.03 168.75 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.54 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 p -88.96 166.19 14.08 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.2 -24.07 62.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 110.625 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -60.11 -51.46 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.93 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 37.1 mt-10 -64.06 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.461 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' B' ' 67' ' ' MET . 7.1 t80 -59.63 -59.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.881 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -30.86 64.61 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.648 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -60.7 -50.48 73.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.347 177.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.573 ' HA ' HD11 ' A' ' 16' ' ' LEU . 15.3 ptt? -67.8 -37.96 82.68 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.922 0.391 . . . . 0.0 110.198 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.644 HG21 HD23 ' A' ' 75' ' ' LEU . 75.3 t -62.01 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.882 -177.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.821 ' HA ' ' HE2' ' B' ' 72' ' ' LYS . 23.9 t70 -57.33 -49.68 75.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.202 176.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.422 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -62.58 -44.93 95.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.424 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.8 m-85 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 -178.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.821 ' HE2' ' HA ' ' B' ' 69' ' ' ASP . 27.9 ttpt -61.95 -31.24 71.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.211 0.529 . . . . 0.0 110.075 173.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.5 -1.16 81.29 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.884 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.544 ' HB3' HD12 ' B' ' 75' ' ' LEU . 5.1 m-20 -127.12 -178.37 4.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.809 0.305 . . . . 0.0 110.946 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' B' ' 74' ' ' ASN . 6.7 mp 47.03 -145.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.656 0.598 . . . . 0.0 111.788 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.699 ' HG3' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.199 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.16 173.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.016 0.436 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -108.11 126.22 52.51 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.75 139.58 52.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.048 0.451 . . . . 0.0 111.307 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 11' ' ' ILE . 3.6 mp -87.99 97.2 6.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -87.43 -29.87 21.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.224 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 9.2 tp10 -125.29 141.01 52.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -175.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -118.42 121.57 40.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.403 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD12 HG22 ' A' ' 29' ' ' ILE . 44.7 mt -81.28 -56.11 4.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' B' ' 70' ' ' ALA . 1.1 pt? -173.34 154.21 2.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.366 172.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.57 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 32.1 m -99.06 112.56 24.66 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 170.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' B' ' 63' ' ' GLU . 37.9 mt -62.0 -70.08 0.21 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.471 -174.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.422 ' OG ' ' HG3' ' B' ' 63' ' ' GLU . 53.1 p -171.94 176.85 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -94.9 131.72 40.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.46 153.99 32.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.87 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 63.06 11.53 5.26 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.199 174.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mttp 58.83 78.75 0.24 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.384 0.611 . . . . 0.0 110.554 -178.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.5 -46.55 0.92 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.227 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -85.59 121.46 28.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.577 0.227 . . . . 0.0 110.535 -175.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -87.16 136.98 32.72 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.949 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.799 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 39.8 ttmt -106.07 118.08 35.7 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.57 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 10.8 pt-20 -156.69 170.56 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.089 0.471 . . . . 0.0 111.552 -173.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.619 HG22 HD12 ' A' ' 15' ' ' LEU . 17.9 mt -128.11 132.23 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.875 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 9.3 p30 -144.37 -178.38 5.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.301 -176.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 35.0 mtm180 -117.34 123.28 46.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 175.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 11' ' ' ILE . 38.8 t -103.11 132.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -177.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.6 t -100.44 127.05 46.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.538 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.86 104.07 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.146 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 65.22 23.27 12.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.143 175.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.97 75.42 1.28 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.067 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -156.93 166.42 16.68 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 88.6 Cg_exo -47.8 123.29 8.21 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.53 2.153 . . . . 0.0 111.772 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.82 125.37 29.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.404 -173.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -99.16 150.11 22.39 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 1.7 p90 -83.33 144.47 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.157 0.503 . . . . 0.0 111.081 -173.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.571 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 7.5 t70 -138.74 135.25 34.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.361 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.556 HG23 HG12 ' A' ' 29' ' ' ILE . 43.6 mt -112.99 111.39 35.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.219 -177.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.873 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 63.9 mtt180 -146.34 175.46 10.52 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.715 0.769 . . . . 0.0 112.026 -178.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.36 127.05 53.22 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.684 165.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.73 144.31 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.442 0.639 . . . . 0.0 111.149 -170.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.249 -174.349 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 pttm . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.141 0.496 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.873 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . 175.12 -147.14 8.77 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.394 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.639 ' HB ' ' CA ' ' B' ' 56' ' ' GLY . 19.1 tt -146.96 134.07 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.022 0.439 . . . . 0.0 111.521 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.0 m -97.22 129.97 44.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -127.59 168.93 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 0.0 111.212 -170.781 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.83 146.0 31.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.019 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' O ' ' HB3' ' A' ' 64' ' ' PHE . 24.2 p-10 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.468 -172.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.83 -51.21 43.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.762 ' HB3' ' HB3' ' B' ' 18' ' ' LEU . 2.9 mp0 -63.54 -25.37 68.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.161 0.505 . . . . 0.0 110.446 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.535 ' CE2' HD22 ' B' ' 75' ' ' LEU . 2.5 t80 -59.25 -52.09 67.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.938 173.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -61.62 -33.42 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.496 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.0 m -58.98 -53.57 56.92 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.481 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -72.12 -35.81 69.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.05 -175.384 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.662 HG21 HD23 ' B' ' 75' ' ' LEU . 48.7 t -58.66 -41.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.036 0.446 . . . . 0.0 110.781 177.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.29 -42.24 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.055 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.61 -49.35 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.584 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.605 ' HB3' HG22 ' B' ' 68' ' ' VAL . 35.8 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.379 -177.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.677 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . 6.1 ttpm? -60.92 -34.38 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.072 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.67 -48.72 79.62 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.967 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -174.22 123.64 0.31 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.016 0.436 . . . . 0.0 111.716 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD22 HG21 ' B' ' 68' ' ' VAL . 27.3 tp -133.65 -62.11 0.79 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.353 179.285 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.235 0.54 . . . . 0.0 110.431 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.29 125.02 50.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -81.67 97.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.502 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 12.5 mm-40 -64.77 -57.17 9.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.929 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -166.52 152.66 8.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.657 -175.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -99.96 127.31 46.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.478 HD12 HG22 ' B' ' 29' ' ' ILE . 89.7 mt -71.82 -55.24 7.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -161.42 144.12 12.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.453 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -86.0 119.25 26.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.517 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.762 ' HB3' ' HB3' ' A' ' 63' ' ' GLU . 79.2 mt -74.4 -57.13 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.919 0.39 . . . . 0.0 110.354 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -161.46 169.4 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.615 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 31.6 tt0 -144.38 104.27 4.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.034 0.445 . . . . 0.0 110.32 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -77.81 123.7 27.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.227 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 61.12 12.12 3.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.181 175.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.59 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . 50.5 tttm 64.0 19.14 11.62 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.78 0.8 . . . . 0.0 110.254 -177.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.69 -42.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.006 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.474 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 46.8 m95 -102.4 91.28 4.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 0.0 110.49 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 3.3 m -86.19 157.07 20.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -129.94 117.56 20.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.88 156.31 42.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -169.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.523 HG12 HG23 ' B' ' 43' ' ' ILE . 56.0 mt -111.61 122.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.282 175.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -137.15 167.32 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.743 0.306 . . . . 0.0 111.135 -172.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -108.76 124.5 50.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -121.67 129.58 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -96.11 123.8 39.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -105.8 117.39 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.944 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 72.81 -28.29 0.19 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.17 -6.57 1.54 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.611 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.66 147.5 86.9 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.7 131.8 24.87 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 0.0 112.123 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.502 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -57.01 123.42 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.534 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.563 ' HG3' ' HA ' ' B' ' 60' ' ' SER . 13.7 mptt -89.33 176.2 7.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.727 175.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -103.9 114.0 27.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' B' ' 58' ' ' THR . 28.4 t70 -110.81 129.66 55.79 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.947 0.403 . . . . 0.0 111.085 -174.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.523 HG23 HG12 ' B' ' 29' ' ' ILE . 22.8 mt -110.85 108.7 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.537 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.754 ' HB2' ' HA ' ' B' ' 55' ' ' LYS . 30.4 ptt-85 -154.0 -171.65 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.212 -177.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.98 161.91 15.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.705 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' TRP . . . . . 0.615 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 98.5 m95 -107.99 147.55 30.93 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 172.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.315 -0.916 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -176.882 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.754 ' HA ' ' HB2' ' B' ' 44' ' ' ARG . 48.3 pttt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.323 0.582 . . . . 0.0 111.901 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLY . . . . . 0.639 ' CA ' ' HB ' ' A' ' 57' ' ' ILE . . . -145.99 -102.31 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.077 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.494 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 20.9 tt -152.65 144.39 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.194 0.521 . . . . 0.0 111.295 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' B' ' 42' ' ' ASP . 5.3 m -95.65 133.89 39.18 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.554 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.561 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 34.8 mt -110.61 142.07 42.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.563 ' HA ' ' HG3' ' B' ' 40' ' ' LYS . 3.6 m -84.31 175.5 9.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -55.61 -39.22 70.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.848 0.356 . . . . 0.0 111.081 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.14 -59.35 4.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.197 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.799 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 2.0 mp0 -56.06 -42.85 77.29 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 111.098 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.558 ' O ' ' HG3' ' B' ' 67' ' ' MET . 8.9 t80 -64.78 -52.16 58.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.261 -173.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLN . . . . . 0.454 ' OE1' HD23 ' A' ' 75' ' ' LEU . 44.2 tp60 -64.17 -33.49 75.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.061 0.458 . . . . 0.0 110.594 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.9 m -61.17 -46.01 92.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -71.34 -29.08 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -177.573 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 75' ' ' LEU . 46.4 t -59.71 -58.99 4.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.935 0.398 . . . . 0.0 111.218 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.494 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 34.6 t70 -59.47 -43.53 93.21 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.151 0.501 . . . . 0.0 110.973 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.555 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -63.46 -50.0 71.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.937 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.511 ' HB3' HG13 ' A' ' 68' ' ' VAL . 11.0 m-85 -67.27 -26.23 66.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.535 0.207 . . . . 0.0 111.516 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 22.2 ttpp -59.14 -39.51 82.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.162 171.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.82 -35.15 7.35 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.389 -0.91 . . . . 0.0 113.267 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.71 -70.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.662 HD23 HG21 ' A' ' 68' ' ' VAL . 53.1 tp -71.67 -62.7 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 33' ' ' SER . 36.6 p90 -154.59 154.84 33.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.152 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -158.39 146.56 18.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.569 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.555 HG12 HG22 ' A' ' 32' ' ' VAL . 59.2 mt -86.37 109.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.776 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.1 pt-20 -81.79 -43.26 18.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 8.5 tp10 -156.92 156.29 32.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.129 0.49 . . . . 0.0 111.562 -174.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -110.45 130.21 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.035 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 29' ' ' ILE . 81.5 mt -72.86 -56.07 5.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.676 0.274 . . . . 0.0 110.545 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' B' ' 67' ' ' MET . 0.9 OUTLIER -158.54 152.21 23.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 177.733 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 28' ' ' GLU . 19.9 m -89.93 128.21 36.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.55 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -87.23 -54.98 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.802 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -168.14 171.04 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.105 0.478 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -127.32 129.57 47.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.382 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -104.08 125.14 50.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.773 0.32 . . . . 0.0 111.216 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 58.45 29.96 19.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.556 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 7.5 mtpm? 57.25 87.7 0.06 Allowed 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.455 0.472 . . . . 0.0 111.354 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.36 -57.38 0.6 Allowed Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.424 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -73.49 97.66 2.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -96.0 137.73 34.64 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 -173.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 37.9 ttpt -118.06 115.57 25.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.508 ' HG2' HG23 ' A' ' 17' ' ' THR . 39.4 mt-10 -137.47 169.83 17.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -175.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.563 HG22 HD12 ' A' ' 15' ' ' LEU . 57.9 mt -116.59 115.56 49.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -130.16 -178.49 4.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.899 0.381 . . . . 0.0 111.224 -173.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 31' ' ' ARG . 19.5 mtp180 -118.64 124.9 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.749 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.555 HG22 HG12 ' A' ' 11' ' ' ILE . 48.2 t -116.77 131.0 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.504 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.539 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 28.4 m -93.79 112.88 24.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.829 0.347 . . . . 0.0 110.44 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -100.51 132.1 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 72.97 -40.62 0.48 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.544 0.738 . . . . 0.0 112.181 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.14 0.03 0.66 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.985 -174.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 159.57 72.35 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -71.61 54.52 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.166 2.577 . . . . 0.0 112.847 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . 67.74 158.14 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.892 0.853 . . . . 0.0 112.972 176.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 11.8 tppt? -127.53 170.14 12.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -99.07 119.88 38.54 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.088 0.471 . . . . 0.0 110.806 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.9 122.03 41.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.499 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.55 HG22 HD13 ' B' ' 57' ' ' ILE . 56.6 mt -100.68 107.94 22.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm105 -136.42 139.75 42.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.259 0.552 . . . . 0.0 112.444 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -112.23 109.2 18.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.938 172.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -108.59 146.28 33.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.364 0.602 . . . . 0.0 111.67 -172.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.617 -178.745 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 pttm . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.893 0.377 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -176.95 -175.34 44.17 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.833 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.7 tt -143.45 142.95 24.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -98.67 143.24 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.914 0.388 . . . . 0.0 111.362 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.505 HD23 ' HE3' ' B' ' 27' ' ' LYS . 57.6 mt -122.11 134.28 54.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.575 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 22.6 t -71.76 157.81 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.93 -49.02 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.585 0.231 . . . . 0.0 111.394 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.89 -41.55 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.909 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.575 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 41.8 mt-10 -62.58 -44.42 96.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.118 0.485 . . . . 0.0 110.069 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.51 ' O ' ' HG2' ' A' ' 67' ' ' MET . 25.4 t80 -58.81 -50.09 75.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.918 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.435 HE22 ' HG2' ' B' ' 76' ' ' GLU . 54.2 tp60 -59.28 -40.93 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 178.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -54.18 -51.1 65.42 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.679 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 21.9 ptt? -67.96 -37.33 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.333 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.559 HG21 HD23 ' B' ' 75' ' ' LEU . 40.3 t -59.14 -52.16 63.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.51 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -71.1 -34.41 71.09 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.885 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -65.72 -50.86 63.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.974 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.615 ' HB3' HG13 ' B' ' 68' ' ' VAL . 46.2 m-85 -74.9 -17.37 60.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.728 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 66.2 tttm -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.47 -58.2 3.39 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.041 -0.982 . . . . 0.0 112.864 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -92.72 -178.68 4.93 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.694 -0.298 . . . . 0.0 110.723 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.662 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 15.5 tp 60.6 178.59 0.1 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.639 0.776 . . . . 0.0 111.282 177.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.662 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 3.4 tm-20 . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 123.099 0.56 . . . . 0.0 111.216 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.139 0.495 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -136.89 119.8 16.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.857 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.82 141.31 42.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.253 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.459 HG13 HG22 ' B' ' 32' ' ' VAL . 3.4 mp -87.68 115.27 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.1 -23.84 15.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.546 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.02 133.72 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -94.98 142.51 27.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.412 HD11 ' HD2' ' B' ' 41' ' ' PHE . 92.7 mt -112.69 -69.09 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.526 HD21 ' HB1' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -134.62 128.66 33.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.993 -170.024 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -98.32 105.13 17.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.483 HD23 HD12 ' B' ' 16' ' ' LEU . 67.9 mt -72.84 -74.4 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.52 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -163.57 160.18 22.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 110.735 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.6 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 64.6 tt0 -99.2 111.48 23.86 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -80.4 126.07 30.72 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 58.64 -160.23 0.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -105.52 91.46 3.78 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.725 -0.609 . . . . 0.0 110.008 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.17 -38.42 1.47 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.145 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -94.93 87.07 4.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.272 0.536 . . . . 0.0 111.808 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 19.5 m -87.58 138.4 31.51 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.455 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.505 ' HE3' HD23 ' A' ' 59' ' ' LEU . 7.1 ttpm? -118.76 124.52 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.32 171.28 17.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.122 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.534 HG12 HG12 ' B' ' 43' ' ' ILE . 54.5 mt -121.22 133.87 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.174 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -149.9 164.01 36.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -91.85 120.68 32.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 0.0 110.667 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.459 HG22 HG13 ' B' ' 11' ' ' ILE . 79.3 t -103.02 121.36 54.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 1.8 m -87.2 113.81 23.26 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.297 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -91.45 154.98 18.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.959 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -34.12 113.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.284 0.99 . . . . 0.0 112.55 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.28 -81.53 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.24 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.603 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -174.0 -51.8 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.4 Cg_endo -52.29 112.17 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.948 2.432 . . . . 0.0 113.335 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -101.71 106.97 18.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.652 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.14 163.9 13.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.571 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 16.5 m-85 -83.19 114.14 21.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.535 ' OD1' ' HG2' ' B' ' 44' ' ' ARG . 15.0 t70 -126.48 142.37 51.56 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.945 0.402 . . . . 0.0 111.236 -171.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.534 HG12 HG12 ' B' ' 29' ' ' ILE . 52.8 mt -112.64 122.17 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.403 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.624 ' HD3' ' HA3' ' B' ' 56' ' ' GLY . 16.6 mmt180 -133.6 162.05 32.98 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.304 0.573 . . . . 0.0 111.357 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.49 137.93 45.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.794 169.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.911 -172.655 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.815 0.341 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLY . . . . . 0.624 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -134.63 169.11 23.29 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 43' ' ' ILE . 20.8 tt -146.51 138.5 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 117.121 0.46 . . . . 0.0 110.88 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.3 m -101.7 135.74 42.73 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.555 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.49 124.9 46.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.722 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -76.13 179.39 5.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.571 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 47.2 t-20 -53.85 -54.3 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 111.129 -174.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' B' ' 62' ' ' GLU . 0.9 OUTLIER -70.42 -36.39 73.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.224 -176.494 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.21 -45.8 83.3 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.247 0.546 . . . . 0.0 110.332 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.45 ' O ' ' HG3' ' B' ' 67' ' ' MET . 54.5 t80 -64.58 -47.1 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -59.16 -36.64 75.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.8 m -58.53 -51.09 71.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.273 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -68.88 -36.05 77.62 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.736 -176.599 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 71' ' ' PHE . 54.3 t -62.15 -41.04 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.243 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.02 -45.13 71.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.868 0.366 . . . . 0.0 110.582 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.23 81.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.374 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.506 ' HB3' HG22 ' A' ' 68' ' ' VAL . 23.0 m-85 -84.74 -23.64 29.19 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.102 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.728 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 25.6 ttmt -62.17 -32.9 73.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.45 45.56 1.29 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.185 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -167.06 149.16 6.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.73 0.265 . . . . 0.0 111.087 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.559 HD23 HG21 ' A' ' 68' ' ' VAL . 40.4 tp 75.5 -40.27 0.41 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.435 ' HG2' HE22 ' A' ' 65' ' ' GLN . 1.1 tm-20 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.281 0.563 . . . . 0.0 111.583 -173.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' HA ' ' A' ' 35' ' ' ASN . 3.2 t . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.045 0.45 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -140.66 130.17 24.03 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.58 148.68 47.65 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.121 0.486 . . . . 0.0 111.149 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.0 mt -93.27 122.96 45.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.78 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -88.38 -42.88 11.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.867 0.365 . . . . 0.0 110.507 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.83 152.73 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.002 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.84 141.12 44.64 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -79.73 -61.96 1.83 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.047 0.451 . . . . 0.0 110.576 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 1.2 pt? -159.58 154.61 24.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.651 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 21.9 m -98.94 138.86 35.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.667 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 77.8 mt -98.09 -69.42 0.76 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -172.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -155.33 175.05 14.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.789 0.328 . . . . 0.0 111.226 -174.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 13.1 pt-20 -134.17 145.94 49.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.68 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.662 ' HB3' ' HB2' ' A' ' 25' ' ' TRP . 67.3 t30 -115.39 143.23 45.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.751 177.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 45.24 26.58 0.27 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.21 1.004 . . . . 0.0 112.765 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 56.94 22.78 7.52 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.826 0.45 . . . . 0.0 111.838 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.63 -32.15 0.26 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.671 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.662 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 11.3 m0 -91.06 97.0 10.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -87.8 136.69 32.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.701 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HD3' HD11 ' B' ' 57' ' ' ILE . 14.9 ttpp -130.92 127.85 39.32 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.101 -0.375 . . . . 0.0 110.582 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.651 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 17.1 pt-20 -160.55 -174.23 4.36 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.27 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.523 HG12 HG23 ' A' ' 43' ' ' ILE . 42.1 mt -123.29 125.97 72.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.269 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -142.14 169.01 18.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.966 0.412 . . . . 0.0 110.942 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.647 ' HD3' ' HB1' ' A' ' 39' ' ' ALA . 67.2 mtt-85 -89.53 131.48 35.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.28 129.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.607 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 66.7 m -109.62 119.01 38.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.86 120.08 39.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.696 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.417 ' HA ' HG23 ' A' ' 8' ' ' THR . 9.8 m120 51.86 31.07 7.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.289 0.566 . . . . 0.0 112.196 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.607 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . 167.49 -159.78 33.2 Favored Glycine 0 CA--C 1.503 -0.716 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 33' ' ' SER . . . -133.98 69.43 74.91 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 117.929 0.865 . . . . 0.0 111.995 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 1.2 Cg_endo -85.18 -22.12 2.82 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.749 2.299 . . . . 0.0 110.589 168.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.647 ' HB1' ' HD3' ' A' ' 31' ' ' ARG . . . 47.84 63.96 1.82 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 114.581 -1.19 . . . . 0.0 112.234 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -82.28 160.26 22.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -89.21 120.16 30.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -114.67 131.46 56.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.923 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.523 HG23 HG12 ' A' ' 29' ' ' ILE . 39.5 mt -115.3 112.94 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' B' ' 57' ' ' ILE . 16.9 ptp180 -155.8 171.61 19.75 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.251 -177.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.64 143.66 33.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.03 174.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -108.48 125.68 52.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.333 -176.316 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.235 0.294 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -178.33 -179.89 48.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.116 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.1 tt -157.03 135.14 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.01 0.433 . . . . 0.0 110.552 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -88.98 132.62 34.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.065 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' B' ' 27' ' ' LYS . 60.0 mt -114.01 146.03 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.8 p -86.93 171.83 10.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -59.17 -40.43 85.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.497 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 1.5 mp0 -58.94 -55.62 32.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.502 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.72 -45.21 90.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.038 -175.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.574 ' O ' ' HG2' ' A' ' 67' ' ' MET . 13.7 t80 -63.43 -47.66 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.819 -175.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -62.19 -39.02 91.32 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.8 m -54.91 -51.08 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.346 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.5 ptt? -64.52 -30.75 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.39 -177.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 64' ' ' PHE . 77.6 t -59.63 -51.73 69.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.614 0.245 . . . . 0.0 111.376 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -41.54 86.55 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.185 0.517 . . . . 0.0 110.92 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.643 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -65.22 -49.24 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.57 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 74' ' ' ASN . 19.4 m-30 -64.45 -25.79 68.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.613 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HD2' ' OE1' ' B' ' 76' ' ' GLU . 85.5 tttt -59.75 -46.57 88.73 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.49 28.14 6.55 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.154 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.481 ' HB2' ' HA ' ' A' ' 71' ' ' PHE . 3.6 m-80 -137.19 -51.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.602 0.239 . . . . 0.0 111.592 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 HG21 ' B' ' 68' ' ' VAL . 49.1 tp -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -167.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.498 ' HA ' HE22 ' B' ' 65' ' ' GLN . 8.3 pt-20 . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.444 -0.732 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.48 ' HB2' HG11 ' B' ' 32' ' ' VAL . 26.2 p90 -108.03 119.37 39.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.758 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.516 ' HB2' ' OG ' ' B' ' 33' ' ' SER . 14.0 mm-40 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -176.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.45 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.6 mp -80.55 108.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.647 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 22.8 mm-40 -85.66 -46.22 10.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.528 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -162.82 152.54 15.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.186 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.456 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 14.3 p80 -107.53 131.65 54.1 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.715 171.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.927 HD23 HG22 ' B' ' 29' ' ' ILE . 2.9 mm? -60.73 -62.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.643 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -172.53 153.59 2.9 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 175.496 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.84 HG23 ' HG2' ' B' ' 28' ' ' GLU . 35.3 m -83.31 122.14 28.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.479 HD11 HD11 ' B' ' 29' ' ' ILE . 66.5 mt -71.76 -71.46 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.501 0.191 . . . . 0.0 111.008 -176.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -163.06 162.6 25.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.26 123.73 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.236 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -95.2 152.96 17.9 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.1 mp0 -53.08 156.39 2.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.481 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' B' ' 22' ' ' GLU . 68.5 mttm 77.37 6.9 2.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.359 -173.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.64 75.22 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.173 174.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.434 ' CZ2' ' HB3' ' B' ' 47' ' ' SER . 33.3 m95 -80.21 102.96 9.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.283 0.563 . . . . 0.0 110.223 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -88.91 137.7 32.08 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.292 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 59' ' ' LEU . 39.2 ttmt -113.36 116.03 29.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.84 ' HG2' HG23 ' B' ' 17' ' ' THR . 46.4 mt-10 -131.63 170.13 15.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.877 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.927 HG22 HD23 ' B' ' 15' ' ' LEU . 41.4 mt -131.02 129.3 63.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.242 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.456 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.3 OUTLIER -149.08 169.28 21.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.448 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 82.4 mtp180 -108.28 121.56 45.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.967 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' B' ' 9' ' ' PHE . 39.5 t -121.99 135.02 63.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 -177.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.516 ' OG ' ' HB2' ' B' ' 10' ' ' GLU . 7.0 p -93.85 135.09 35.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -111.04 101.98 10.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.965 -176.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 p30 41.75 52.11 4.05 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.301 1.001 . . . . 0.0 111.189 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.99 -164.96 13.17 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.386 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.517 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.81 165.0 0.12 Allowed Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 122.805 0.442 . . . . 0.0 111.59 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 29.6 Cg_endo -64.31 158.29 49.63 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.109 1.872 . . . . 0.0 111.748 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -69.19 110.62 4.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.041 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.7 mttt -81.1 152.54 27.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.469 ' HZ ' HD11 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -95.73 128.91 43.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.137 -175.639 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -133.57 149.0 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.202 0.525 . . . . 0.0 111.086 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.687 HG23 HG12 ' B' ' 29' ' ' ILE . 19.9 mt -110.9 109.83 29.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 ptm85 -123.88 161.83 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -166.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' B' ' 55' ' ' LYS . . . -136.76 106.77 6.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.394 175.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' TRP . . . . . 0.435 ' HE3' ' O ' ' B' ' 47' ' ' SER . 56.6 p-90 -108.24 144.09 36.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.386 0.613 . . . . 0.0 111.949 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.435 ' O ' ' HE3' ' B' ' 46' ' ' TRP . 7.3 p . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.211 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' B' ' 45' ' ' ALA . 34.4 mmtp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.12 163.78 12.41 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.973 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 44' ' ' ARG . 10.9 tt -133.38 134.15 57.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -100.68 132.04 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.846 0.355 . . . . 0.0 110.65 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.452 ' HB2' ' CD2' ' B' ' 41' ' ' PHE . 4.7 mp -126.5 168.11 14.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.907 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -94.76 172.57 8.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.985 0.421 . . . . 0.0 110.575 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -73.46 -33.9 65.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.876 -173.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.48 -58.7 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.467 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 12.5 pt-20 -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.421 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.614 ' O ' HG23 ' B' ' 68' ' ' VAL . 2.1 t80 -56.36 -52.01 66.17 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLN . . . . . 0.498 HE22 ' HA ' ' A' ' 76' ' ' GLU . 5.7 tp60 -65.69 -37.21 85.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.433 ' HB ' ' HA ' ' B' ' 63' ' ' GLU . 79.4 m -52.97 -50.03 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.266 176.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.442 ' HA ' HD11 ' A' ' 16' ' ' LEU . 13.6 ptt? -74.47 -38.44 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.174 -176.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 64' ' ' PHE . 84.3 t -53.68 -48.5 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.558 0.218 . . . . 0.0 110.418 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.95 -43.95 91.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.153 0.502 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.35 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -89.8 -0.84 57.8 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.968 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 1.3 mmpm? -75.29 -30.09 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 165.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.57 -51.36 3.69 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.38 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' B' ' 75' ' ' LEU . 64.3 t30 -97.88 144.41 27.48 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.466 ' HB3' ' H ' ' B' ' 76' ' ' GLU . 5.1 mp 67.56 -161.46 0.22 Allowed 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.017 0.527 . . . . 0.0 110.128 -172.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.553 ' OE1' ' HD2' ' A' ' 72' ' ' LYS . 31.4 tt0 . . . . . 0 N--CA 1.469 0.499 0 O-C-N 123.897 0.748 . . . . 0.0 110.286 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.446 -0.632 0 CA-C-O 120.82 0.343 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -105.05 119.93 40.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 33' ' ' SER . 8.6 pt-20 -108.0 119.99 41.04 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.295 0.569 . . . . 0.0 111.443 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.549 ' HA ' HG22 ' A' ' 32' ' ' VAL . 4.2 mp -85.65 91.4 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -90.19 -30.66 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.666 -173.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CD ' HH21 ' A' ' 31' ' ' ARG . 36.2 tt0 -142.9 128.19 18.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.966 0.412 . . . . 0.0 111.296 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -92.76 101.63 14.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.03 -54.85 35.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 112.075 -173.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.8 OUTLIER -149.5 114.71 5.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -172.08 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m -88.83 102.52 15.11 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' B' ' 63' ' ' GLU . 92.0 mt -74.1 -74.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -157.68 151.66 24.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.228 0.537 . . . . 0.0 111.649 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 0.6 OUTLIER -89.06 115.94 26.98 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.111 170.539 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.57 165.02 12.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.492 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 65.13 -71.34 0.08 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.922 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . 36.6 ttmt -168.98 -61.28 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.12 17.28 7.11 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.905 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.463 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 65.9 m95 -97.86 101.62 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.857 0.361 . . . . 0.0 110.465 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 22.8 m -86.57 137.71 32.29 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.053 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -114.42 115.84 27.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.567 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -148.67 154.38 39.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.1 -171.778 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.567 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 62.1 mt -100.03 123.39 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.951 176.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -123.46 166.8 14.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.23 0.538 . . . . 0.0 111.435 -174.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 53.6 ttp85 -122.82 107.16 11.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.093 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 11' ' ' ILE . 69.9 t -122.65 136.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.821 -170.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 10' ' ' GLU . 48.4 t -88.0 118.45 27.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.03 82.34 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.5 t30 53.31 26.07 4.98 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.268 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.92 174.49 25.81 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.033 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 71.05 153.12 0.14 Allowed Pre-proline 0 N--CA 1.467 0.393 0 C-N-CA 123.229 0.611 . . . . 0.0 111.12 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.16 40.11 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.104 2.536 . . . . 0.0 113.316 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HB1' ' HG2' ' A' ' 31' ' ' ARG . . . 67.81 114.43 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.47 0.708 . . . . 0.0 111.52 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 32.6 mmtp -95.12 178.7 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.468 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -99.03 129.55 45.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.55 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 33.7 t70 -135.14 130.31 35.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.992 0.425 . . . . 0.0 110.404 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.58 HG22 HD13 ' B' ' 57' ' ' ILE . 54.7 mt -107.95 104.6 17.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.55 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 10.2 ttp180 -136.49 169.74 17.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.463 0.649 . . . . 0.0 111.977 -170.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.88 146.56 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.055 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 84.7 m95 -115.81 133.67 55.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.324 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.483 178.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.108 0.48 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 173.12 156.77 13.41 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.577 -176.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' B' ' 55' ' ' LYS . 10.9 tt -156.14 139.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 111.64 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.5 133.74 35.63 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.302 0.573 . . . . 0.0 111.225 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.8 mt -119.28 143.38 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.024 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 t -93.6 -173.25 3.13 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.24 -35.64 81.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.854 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.87 -57.97 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.251 -176.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.612 ' HG3' ' HB3' ' B' ' 19' ' ' SER . 1.8 mp0 -56.43 -44.32 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 0.0 111.057 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.5 t80 -61.84 -53.4 56.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.729 -175.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.672 ' HG2' HD23 ' B' ' 75' ' ' LEU . 3.6 mm-40 -64.38 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.394 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -61.22 -49.45 77.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 24.7 ptt? -61.95 -41.31 97.84 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.61 0.243 . . . . 0.0 110.463 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 89.7 t -54.5 -53.07 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.9 -48.67 77.96 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.049 0.452 . . . . 0.0 111.31 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.511 ' CB ' HD13 ' B' ' 16' ' ' LEU . . . -62.97 -36.25 82.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.898 -176.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 17.9 m-85 -72.8 -24.7 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.357 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 26.0 mmtp -66.92 -32.28 73.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.515 0.674 . . . . 0.0 109.433 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.02 26.2 25.37 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.636 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.09 -67.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HG21 ' B' ' 68' ' ' VAL . 12.2 tp -88.53 -16.93 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.936 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 9.9 tp10 . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 110.394 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -117.73 139.43 51.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.98 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.05 116.95 26.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.765 0.317 . . . . 0.0 110.632 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.602 HG12 HG22 ' B' ' 32' ' ' VAL . 37.7 mt -83.34 93.03 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.92 -27.14 25.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.59 143.95 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 111.024 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -117.66 114.55 23.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.57 HD12 HG22 ' B' ' 29' ' ' ILE . 29.7 mt -68.38 -58.25 4.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.993 -175.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.511 HD13 ' CB ' ' A' ' 70' ' ' ALA . 1.1 pt? -167.88 140.67 3.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.115 0.483 . . . . 0.0 110.801 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.635 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 21.5 m -80.04 123.54 27.93 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 169.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 63' ' ' GLU . 78.9 mt -78.06 -71.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.873 0.368 . . . . 0.0 111.417 -171.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.612 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 35.0 t -158.27 159.16 35.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.185 -176.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -112.48 111.44 22.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -90.64 177.13 6.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.979 -174.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.0 mp0 -50.78 146.92 5.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.81 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.588 ' HB2' ' HD1' ' B' ' 25' ' ' TRP . 34.7 mmtp 76.38 -5.94 2.09 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.206 0.942 . . . . 0.0 111.371 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.07 24.89 15.61 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.804 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.588 ' HD1' ' HB2' ' B' ' 23' ' ' LYS . 55.3 m95 -83.16 106.08 14.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' B' ' 46' ' ' TRP . 8.8 m -87.04 139.18 30.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.548 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -113.24 123.19 49.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.635 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 39.2 tt0 -142.98 147.56 35.37 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.389 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.57 HG22 HD12 ' B' ' 15' ' ' LEU . 55.4 mt -114.74 114.35 46.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.432 174.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -134.36 175.87 9.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.287 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -116.22 121.14 41.18 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.602 HG22 HG12 ' B' ' 11' ' ' ILE . 16.0 t -124.26 134.52 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.546 -171.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.5 t -100.04 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.9 110.79 22.15 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.152 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 38.4 t30 69.58 -57.84 0.53 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.795 0.685 . . . . 0.0 110.853 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.73 -158.99 15.63 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 70.73 165.99 0.13 Allowed Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.595 0.358 . . . . 0.0 111.228 177.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 70.9 Cg_exo -49.15 125.22 12.97 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.733 2.289 . . . . 0.0 112.553 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.51 126.02 25.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.54 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -102.39 169.49 8.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.561 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 43.1 m-85 -90.02 122.67 33.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.284 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.52 119.35 34.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.509 ' O ' ' HA2' ' B' ' 56' ' ' GLY . 53.6 mt -104.15 105.19 18.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -135.24 172.71 12.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 0.0 111.803 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.8 147.29 38.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.132 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' TRP . . . . . 0.482 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 91.6 m95 -107.73 134.19 51.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 -179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 -177.791 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 99.1 mttt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' B' ' 43' ' ' ILE . . . 178.62 149.7 8.32 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.023 -177.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 43' ' ' ILE . 14.9 tt -145.02 140.58 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.1 p -96.32 126.81 41.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.176 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.8 mt -115.38 145.53 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.516 ' HB2' ' OE2' ' B' ' 63' ' ' GLU . 1.4 m -94.48 177.27 5.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.265 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.561 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 15.3 m120 -53.51 -44.31 69.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.398 -176.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.22 -50.05 20.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.527 ' HB3' HD13 ' A' ' 18' ' ' LEU . 1.7 mp0 -59.8 -35.75 75.32 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.981 0.42 . . . . 0.0 110.406 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.563 ' O ' ' HG2' ' B' ' 67' ' ' MET . 2.4 t80 -67.37 -48.15 68.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.733 -176.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.3 m -53.35 -44.99 68.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.441 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 14.8 ptt? -70.35 -31.63 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.966 -176.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 64' ' ' PHE . 94.8 t -57.88 -51.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.475 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' B' ' 72' ' ' LYS . 1.1 m-20 -62.45 -52.11 64.82 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.191 0.52 . . . . 0.0 111.577 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.556 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -62.44 -36.59 82.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.495 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -79.84 -4.59 52.84 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.437 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.641 ' HE2' ' HD2' ' A' ' 72' ' ' LYS . 15.1 ttmm -77.91 -28.16 49.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 164.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.56 -57.44 16.45 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.797 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -82.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 65' ' ' GLN . 5.9 mp -76.07 158.72 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.181 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.615 ' HB2' ' O ' ' B' ' 75' ' ' LEU . 20.9 tt0 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.095 0.474 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -91.68 141.67 28.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -78.83 92.94 4.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.805 0.812 . . . . 0.0 110.325 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.9 tpt -81.34 68.44 7.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.663 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.05 12.21 3.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.013 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -125.88 94.41 4.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.403 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -82.01 103.74 11.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.282 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 p -71.99 118.33 14.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.149 0.5 . . . . 0.0 110.669 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -106.29 126.5 52.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.562 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -142.57 133.44 25.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.546 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.0 mt -90.14 99.78 10.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.054 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.87 -20.59 30.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.998 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -139.94 115.43 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.204 0.526 . . . . 0.0 111.352 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -95.08 109.36 21.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.086 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 HG22 ' A' ' 29' ' ' ILE . 96.9 mt -66.55 -69.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.662 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.5 pt? -165.35 152.06 10.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.672 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 37.9 m -88.06 128.03 35.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.464 171.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -76.44 -64.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -156.27 160.09 39.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.093 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -111.99 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -87.86 144.11 26.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.507 -169.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG3' ' HG2' ' A' ' 23' ' ' LYS . 9.7 tp10 61.54 -91.53 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.073 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HG2' ' HG3' ' A' ' 22' ' ' GLU . 14.0 pttm -176.36 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.367 0.667 . . . . 0.0 109.632 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.68 -12.98 6.19 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.877 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.42 ' HZ2' ' HD2' ' A' ' 52' ' ' LYS . 45.0 m95 -93.25 83.1 4.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.848 0.356 . . . . 0.0 110.342 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 m -85.84 136.68 33.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -130.01 117.55 20.22 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.672 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 17.9 pt-20 -148.9 174.81 11.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.28 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.58 HG22 HD12 ' A' ' 15' ' ' LEU . 40.9 mt -121.53 130.47 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.743 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -146.03 168.38 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.784 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 31.6 mtm180 -105.77 123.16 47.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.966 0.412 . . . . 0.0 110.566 175.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 49.4 t -101.28 126.78 55.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 1.8 m -89.68 108.33 19.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.948 178.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 96.6 m-85 -88.23 114.14 24.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 49.0 m-80 78.11 -38.21 0.24 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.047 0.842 . . . . 0.0 110.991 -175.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.52 -65.37 0.33 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.754 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -69.3 -52.85 14.41 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -72.31 87.62 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.397 2.065 . . . . 0.0 112.478 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -107.85 102.26 11.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.879 176.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -116.64 179.32 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.01 -177.064 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.454 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 38.3 m-85 -82.19 135.71 35.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.349 -169.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 21.5 t70 -137.47 126.56 24.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.078 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.401 HG23 HG12 ' A' ' 29' ' ' ILE . 52.6 mt -104.02 107.34 22.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.562 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 12.1 ttm-85 -133.73 144.53 49.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.184 0.516 . . . . 0.0 111.798 -169.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.0 134.02 47.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.557 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -107.49 143.86 35.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.643 ' HB2' ' HA ' ' A' ' 51' ' ' THR . 13.0 m -103.2 165.65 13.21 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 47' ' ' SER . 37.5 Cg_endo -67.68 -153.58 0.03 OUTLIER 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.341 2.027 . . . . 0.0 112.297 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.22 148.19 6.76 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.805 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 73.74 -43.4 0.54 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.695 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.643 ' HA ' ' HB2' ' A' ' 47' ' ' SER . 35.3 m 70.85 137.7 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.312 0.577 . . . . 0.0 111.405 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HD2' ' HZ2' ' A' ' 25' ' ' TRP . 15.0 ptpt -135.94 -175.67 4.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.881 -176.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 23.6 mmt -67.63 114.65 6.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 0.0 111.763 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.35 36.72 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.094 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.77 -101.8 0.1 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.988 0.515 . . . . 0.0 111.386 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' A' ' 44' ' ' ARG . . . 81.54 103.85 0.37 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.495 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.532 ' HB ' ' O ' ' B' ' 55' ' ' LYS . 13.7 tt -120.79 128.93 76.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.325 0.583 . . . . 0.0 111.042 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.3 m -93.51 134.73 35.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.582 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.2 mt -117.83 144.94 44.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.6 p -83.55 164.08 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.802 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 8.2 t30 -56.45 -45.19 80.96 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.795 -176.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.77 -49.78 73.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.361 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.647 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.477 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 23.3 t80 -67.66 -44.81 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.42 -37.64 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.294 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.2 m -58.69 -53.18 61.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.491 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -64.6 -38.15 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.58 HG21 HD23 ' B' ' 75' ' ' LEU . 79.4 t -61.7 -42.68 95.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.121 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.64 -49.5 77.28 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.0 -45.16 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.673 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.515 ' HB3' HG13 ' B' ' 68' ' ' VAL . 18.5 m-85 -71.79 -24.86 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.314 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.965 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 83.6 tttt -69.56 -33.57 72.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.71 -4.97 87.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.913 -176.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -155.54 -161.27 1.14 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.657 0.728 . . . . 0.0 110.886 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.518 ' CD2' HG21 ' B' ' 68' ' ' VAL . 29.9 tp 71.14 -32.15 0.24 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.67 1.188 . . . . 0.0 113.036 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -72.5 8.7 1.3 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.87 127.89 33.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.956 0.408 . . . . 0.0 110.846 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -60.78 137.45 58.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -75.02 52.68 0.57 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.669 0.747 . . . . 0.0 111.231 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -172.24 66.72 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -99.74 -25.32 14.42 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.075 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 C--O 1.243 0.742 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.808 179.107 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.809 0.337 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -142.0 149.83 40.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.633 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -82.31 104.18 12.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.26 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.3 ttp 61.44 85.17 0.12 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.055 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.62 86.73 7.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.911 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -146.05 146.75 31.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.248 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -97.72 130.08 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.22 0.533 . . . . 0.0 111.318 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.2 p -114.59 121.59 43.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.116 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -110.36 138.67 46.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.735 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 149.16 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.614 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.2 106.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.253 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -60.1 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.836 -177.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -135.16 131.19 36.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.5 117.44 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' B' ' 29' ' ' ILE . 68.5 mt -94.32 -71.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.108 -177.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 69.0 mt -132.54 137.88 47.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.0 m -106.08 100.75 10.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 171.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.08 -67.74 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.149 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -172.06 155.76 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -106.5 120.52 42.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -114.96 172.31 7.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.387 -168.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 52.78 -111.01 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.853 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -135.38 89.13 2.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.504 ' HA3' ' HB3' ' B' ' 48' ' ' PRO . . . 81.17 7.46 88.44 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.853 177.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -85.11 97.98 10.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -87.44 136.69 32.84 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.997 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -129.56 120.8 25.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.962 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 4.1 pt-20 -147.97 -175.76 5.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.145 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 65.7 mt -130.97 118.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.467 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -147.63 179.07 7.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 46.5 mtm180 -107.28 121.11 43.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.515 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 42.7 t -106.18 132.46 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.4 p -97.21 133.96 41.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.479 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.54 98.23 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 62.13 90.86 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.271 0.558 . . . . 0.0 111.622 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLY . . . . . 0.533 ' C ' ' HD3' ' B' ' 38' ' ' PRO . . . 101.82 -140.13 14.73 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -176.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.614 ' N ' ' HD3' ' B' ' 38' ' ' PRO . . . -126.5 50.58 5.06 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.614 ' HD3' ' N ' ' B' ' 37' ' ' ALA . 20.0 Cg_endo -95.5 52.58 0.19 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.922 2.415 . . . . 0.0 110.706 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' B' ' 32' ' ' VAL . . . -71.34 104.49 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.613 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 32.4 mmtp -101.42 171.56 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.443 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -83.5 116.43 22.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.236 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -116.14 115.96 26.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -176.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.66 103.62 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.562 ' CB ' ' HA3' ' B' ' 56' ' ' GLY . 21.9 ttm105 -147.08 148.69 31.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.429 0.633 . . . . 0.0 112.452 -169.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.19 132.88 35.81 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.898 -1.047 . . . . 0.0 108.79 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -107.24 132.98 52.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 120.984 0.421 . . . . 0.0 110.012 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.547 ' OG ' ' HA ' ' B' ' 53' ' ' MET . 10.1 m -62.41 149.76 87.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.509 -176.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.504 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 58.2 Cg_endo -71.16 -167.29 0.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.842 2.361 . . . . 0.0 111.848 174.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -76.73 -1.39 27.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.676 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -107.13 -82.87 0.54 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.695 -173.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.45 -163.48 1.79 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.45 -175.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 57.5 mttp 73.38 175.86 0.26 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.068 0.947 . . . . 0.0 111.326 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' MET . . . . . 0.547 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 0.0 OUTLIER -154.1 149.41 27.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.556 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.69 155.64 24.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.609 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.532 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 24.5 mmmt -93.1 28.86 2.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.8 0.44 . . . . 0.0 111.083 -175.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLY . . . . . 0.562 ' HA3' ' CB ' ' B' ' 44' ' ' ARG . . . -56.49 147.15 32.63 Favored Glycine 0 CA--C 1.517 0.157 0 CA-C-N 115.999 -0.546 . . . . 0.0 114.255 -173.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 19.1 tt -123.07 140.3 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.07 0.462 . . . . 0.0 110.511 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -99.4 134.71 41.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.6 mt -123.88 141.59 51.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.527 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.448 ' HA ' ' HD2' ' B' ' 40' ' ' LYS . 11.3 t -83.48 166.71 18.09 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -57.44 -43.85 84.23 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.94 -49.51 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.655 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.95 -40.97 83.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.383 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.412 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 17.8 t80 -62.56 -48.54 79.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.532 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -59.86 -36.99 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.4 m -57.61 -52.64 64.58 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.342 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.572 ' HA ' HD11 ' A' ' 16' ' ' LEU . 13.0 ptt? -63.68 -37.62 88.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.933 0.397 . . . . 0.0 110.387 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.518 HG21 ' CD2' ' A' ' 75' ' ' LEU . 49.2 t -64.61 -45.09 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.568 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.89 -41.18 97.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.441 . . . . 0.0 110.68 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.51 -53.53 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.05 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.4 m-85 -67.93 -30.17 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.693 0.282 . . . . 0.0 110.721 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.965 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 21.4 ttmm -54.71 -42.79 71.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.818 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.25 -14.49 41.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.383 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -100.42 -71.36 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -174.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.58 HD23 HG21 ' A' ' 68' ' ' VAL . 29.5 tp -67.39 -42.72 82.85 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -169.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.62 92.97 7.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -119.15 15.5 13.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.915 -173.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -80.14 -27.54 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.128 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -173.76 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.571 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -81.59 90.32 6.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 0.0 110.68 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -149.31 104.73 3.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.772 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 66.6 m170 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.484 172.895 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.661 0.267 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -104.02 176.41 5.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.665 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -113.08 91.76 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.44 0.638 . . . . 0.0 110.441 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.6 ttm -138.62 -45.45 0.49 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.643 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.67 -170.03 2.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.375 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 66.74 100.41 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.713 0.768 . . . . 0.0 112.057 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -145.46 122.82 11.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.058 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.707 ' H ' ' HB2' ' A' ' 35' ' ' ASN . 29.9 p -87.57 141.77 28.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.182 178.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.91 118.62 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.205 0.526 . . . . 0.0 110.112 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 10.8 mm-40 -108.91 119.78 40.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.763 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.77 96.27 6.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -101.89 -35.91 8.84 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.603 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -127.33 122.83 34.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 0.0 112.484 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -93.99 111.74 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.347 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 29' ' ' ILE . 94.8 mt -71.34 -53.81 12.91 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.57 145.33 1.2 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.53 170.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.879 HG23 ' HG2' ' A' ' 28' ' ' GLU . 89.3 m -89.95 119.6 30.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.46 173.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.62 -73.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.811 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.459 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 74.4 m -164.35 159.43 19.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.323 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 45.9 tt0 -90.14 103.7 16.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 167.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -82.61 123.29 29.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.147 0.499 . . . . 0.0 111.747 -168.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 43.01 -88.06 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.288 1.435 . . . . 0.0 114.424 171.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -89.18 23.92 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -172.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.86 3.1 62.39 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.201 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.402 ' HZ2' ' HD2' ' A' ' 52' ' ' LYS . 22.4 m95 -76.96 110.3 11.48 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -85.62 137.41 32.87 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.171 0.51 . . . . 0.0 111.022 -173.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HG2' ' CD2' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -113.52 116.12 29.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.414 176.433 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.879 ' HG2' HG23 ' A' ' 17' ' ' THR . 31.8 mt-10 -132.66 146.99 52.32 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.667 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.534 HG22 HD12 ' A' ' 15' ' ' LEU . 58.4 mt -111.95 118.89 58.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -137.9 178.57 7.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.987 0.422 . . . . 0.0 110.763 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.26 158.61 22.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 21.4 t -145.61 124.55 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 123.171 0.294 . . . . 0.0 111.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 68.4 m -79.95 130.87 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.881 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 94.2 m-85 -114.67 155.71 26.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.602 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.707 ' HB2' ' H ' ' A' ' 8' ' ' THR . 7.5 t30 -57.73 105.23 0.24 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.155 173.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.31 63.11 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 34' ' ' PHE . . . -146.98 138.65 13.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.661 0.231 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.59 166.18 22.84 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.404 2.069 . . . . 0.0 111.904 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -66.26 95.43 0.3 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 111.043 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -95.24 175.23 6.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.89 142.61 27.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.105 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -138.08 124.94 21.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.482 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.588 HG22 HD13 ' B' ' 57' ' ' ILE . 36.3 mm -91.07 107.11 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 174.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -110.8 122.12 47.05 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -163.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.64 111.96 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.063 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -123.79 147.25 47.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.142 0.496 . . . . 0.0 111.014 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.3 t -77.4 147.16 75.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.208 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -69.64 70.53 1.51 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.437 2.091 . . . . 0.0 112.25 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 55.66 76.77 0.26 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.863 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -149.84 160.39 43.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.295 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.0 m -76.29 74.39 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.444 0.64 . . . . 0.0 110.491 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD2' ' HZ2' ' A' ' 25' ' ' TRP . 62.2 mttm -140.62 153.78 46.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -94.65 130.77 41.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.117 0.484 . . . . 0.0 110.807 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.8 134.08 14.58 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.379 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 32.1 mmtp -94.27 26.84 3.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 0.0 110.826 -176.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' B' ' 55' ' ' LYS . . . -60.3 139.6 48.21 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.123 177.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 tt -126.21 135.2 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.07 0.462 . . . . 0.0 111.253 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.7 p -84.17 142.53 30.27 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.574 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.1 mt -124.54 138.55 54.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.112 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -84.72 172.58 11.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.56 -49.61 75.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.268 . . . . 0.0 110.759 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.94 -54.49 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.234 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 31.9 mt-10 -65.88 -45.35 82.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.125 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HD2' HD22 ' B' ' 75' ' ' LEU . 17.2 t80 -67.2 -43.71 81.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.972 -175.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.11 -41.05 97.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.489 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.8 m -57.84 -45.75 85.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.493 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.533 ' HG3' ' HE2' ' A' ' 71' ' ' PHE . 58.6 ttp -55.93 -54.34 45.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.1 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.578 HG13 ' HB3' ' B' ' 71' ' ' PHE . 65.0 t -55.03 -58.99 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.813 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -70.84 -30.09 66.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.506 -171.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -56.75 16.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.548 ' HB3' HG22 ' B' ' 68' ' ' VAL . 55.0 m-85 -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.077 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.615 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 86.7 tttt -54.09 -41.35 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 176.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.13 -28.14 11.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.174 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -86.97 -66.13 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.82 HD23 HG21 ' B' ' 68' ' ' VAL . 34.9 tp -68.63 -37.67 79.9 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.508 -172.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HG2' ' HE2' ' B' ' 72' ' ' LYS . 7.5 tp10 -79.96 98.6 7.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.462 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -136.78 18.59 3.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.041 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -147.86 -154.98 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.723 -174.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' A' ' 80' ' ' HIS . 22.1 t-160 76.77 -65.69 0.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.512 0.507 . . . . 0.0 110.659 170.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.511 ' HB2' ' O ' ' A' ' 79' ' ' HIS . 15.8 t-80 168.87 -62.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t60 175.7 -48.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.074 -1.421 . . . . 0.0 107.183 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 C--O 1.241 0.63 0 CA-C-N 114.636 -1.166 . . . . 0.0 108.636 170.906 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.07 106.17 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.561 0.538 . . . . 0.0 111.609 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -127.05 100.36 6.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.951 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.9 mmt -101.14 179.29 4.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.704 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.33 38.02 10.52 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 110.689 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.32 -53.77 43.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.681 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -146.5 101.55 3.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.985 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.4 m -100.98 118.62 37.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.722 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' B' ' 33' ' ' SER . 19.5 p90 -103.95 126.33 50.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -129.23 147.59 51.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.505 HG12 HG22 ' B' ' 32' ' ' VAL . 72.1 mt -90.27 110.63 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.447 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -80.0 -53.66 6.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.009 0.433 . . . . 0.0 110.841 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.24 128.64 53.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.486 -173.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -95.23 90.7 5.96 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.173 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.549 HD12 HG22 ' B' ' 29' ' ' ILE . 93.0 mt -55.53 -76.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.488 0.492 . . . . 0.0 112.147 -172.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.29 155.64 29.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.526 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.705 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 47.7 m -92.26 133.1 36.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.065 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' B' ' 28' ' ' GLU . 84.5 mt -85.62 -47.6 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.124 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.471 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 4.5 t -163.84 154.09 15.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.616 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -128.63 125.3 37.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.805 0.336 . . . . 0.0 110.55 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -115.01 150.1 36.37 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 64.61 -96.87 0.05 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.045 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -166.34 22.7 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.46 -23.03 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.095 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -80.45 81.5 6.69 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 26.3 m -109.39 137.89 46.57 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.533 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -115.58 124.05 49.99 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.705 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 16.2 pt-20 -161.44 -174.77 4.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.885 0.374 . . . . 0.0 111.408 -174.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.549 HG22 HD12 ' B' ' 15' ' ' LEU . 42.1 mt -126.81 133.47 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.039 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -140.32 174.82 10.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.05 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -111.87 131.77 55.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.505 HG22 HG12 ' B' ' 11' ' ' ILE . 59.4 t -127.0 133.5 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.429 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 69.6 m -106.4 135.64 47.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -102.46 97.39 7.63 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 69.94 -56.29 0.58 Allowed 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.912 0.757 . . . . 0.0 110.815 -172.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.04 -152.74 6.93 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 71.38 164.52 0.14 Allowed Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 124.098 0.528 . . . . 0.0 111.122 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -49.8 124.08 11.78 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.869 2.379 . . . . 0.0 112.561 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.13 121.97 16.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.883 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -86.54 170.93 11.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -94.27 146.3 24.12 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.635 ' OD2' ' HD2' ' B' ' 44' ' ' ARG . 27.1 t70 -139.44 121.88 16.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.824 -176.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.513 HG12 HG12 ' B' ' 29' ' ' ILE . 55.2 mt -103.76 113.53 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.635 ' HD2' ' OD2' ' B' ' 42' ' ' ASP . 9.5 ptm85 -142.36 161.42 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.448 0.642 . . . . 0.0 112.473 -171.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.77 113.95 24.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.33 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -107.85 168.67 9.11 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.559 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.576 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 8.3 m -152.4 172.03 6.0 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.671 -172.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' HB3' ' B' ' 47' ' ' SER . 18.1 Cg_endo -60.95 -27.14 84.34 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.22 1.947 . . . . 0.0 111.068 171.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -145.21 104.84 3.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.891 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -93.65 63.52 3.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.226 0.536 . . . . 0.0 110.781 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 51.9 p -129.39 -15.28 4.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.474 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -72.3 -57.42 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.23 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 25.6 ptm -166.04 178.71 6.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.716 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 103.26 137.79 9.61 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.07 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.533 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 96.3 mttt -122.01 179.85 4.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.976 0.417 . . . . 0.0 111.219 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.26 139.17 6.37 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.588 HD13 HG22 ' A' ' 43' ' ' ILE . 11.7 tt -127.71 127.83 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.368 0.604 . . . . 0.0 111.467 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.9 p -90.58 133.39 35.12 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.472 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 27' ' ' LYS . 94.5 mt -119.45 137.78 53.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.214 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 14.4 m -79.39 167.85 20.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.202 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -59.33 -46.51 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.125 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -58.81 -45.48 89.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 36.3 mt-10 -63.28 -45.52 91.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.541 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.4 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 t80 -66.79 -40.53 88.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.026 -175.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.46 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.788 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 57.8 m -58.91 -44.96 91.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.55 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -55.16 -49.97 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.199 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.82 HG21 HD23 ' A' ' 75' ' ' LEU . 53.8 t -63.19 -44.43 99.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.595 -173.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.562 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 20.8 t70 -71.08 -40.39 71.59 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' B' ' 74' ' ' ASN . . . -61.35 -45.49 94.19 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.058 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.578 ' HB3' HG13 ' A' ' 68' ' ' VAL . 41.0 m-85 -80.89 -26.03 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.5 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.615 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 28.9 ttmt -48.5 -47.58 38.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.97 38.96 3.02 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.1 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.551 ' HB3' ' HA ' ' B' ' 71' ' ' PHE . 34.2 t-20 -137.93 -70.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.939 -177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.561 ' HB3' HG11 ' A' ' 68' ' ' VAL . 27.1 tp -95.49 63.72 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.504 0.669 . . . . 0.0 111.235 -172.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.81 85.98 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -145.24 173.89 11.56 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.879 -171.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.2 t60 70.77 138.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 O-C-N 124.316 1.01 . . . . 0.0 110.453 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -55.62 128.23 33.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.485 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -60.36 118.49 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -68.35 112.33 5.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.287 -173.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 21.3 m80 . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.973 176.196 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.5 tttm 58.84 73.0 0.5 Allowed 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.57 0.544 . . . . 0.0 111.888 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' A' ' 4' ' ' MET . 32.8 pttt -168.48 -49.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.057 176.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.539 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 22.6 ttt 54.19 22.99 3.89 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.367 0.603 . . . . 0.0 111.429 -175.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.98 140.53 52.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.329 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -118.96 -155.02 0.59 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.784 0.326 . . . . 0.0 110.28 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.46 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 91.7 m-85 -89.68 122.91 33.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.018 0.437 . . . . 0.0 110.922 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -103.12 138.96 39.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.591 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -112.95 129.13 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.025 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -128.12 130.87 48.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -86.05 114.16 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.845 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.476 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 70.5 mm-40 -84.44 -78.15 0.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.202 -176.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -127.61 132.93 49.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.783 -171.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -81.38 91.71 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -52.03 -47.97 64.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.494 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 29' ' ' ILE . 48.0 mt -146.52 135.71 22.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.342 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -105.88 97.61 7.41 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.69 -80.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.886 -169.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.0 m -159.54 173.41 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.191 0.52 . . . . 0.0 111.672 -172.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.37 142.66 46.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.387 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.491 ' HB2' ' HB2' ' A' ' 25' ' ' TRP . 5.1 m-20 -94.91 162.48 13.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.419 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -34.18 40.77 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 124.308 1.005 . . . . 0.0 113.106 -171.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.09 3.36 15.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.598 0.237 . . . . 0.0 111.544 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.32 32.2 23.31 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.302 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.491 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 27.4 m0 -98.84 141.45 31.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.302 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -105.86 138.38 42.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.84 0.353 . . . . 0.0 111.519 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 15.7 ttmm -129.41 118.78 22.73 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.48 169.0 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.383 0.611 . . . . 0.0 110.806 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.567 HG12 HG23 ' A' ' 43' ' ' ILE . 70.5 mt -117.95 124.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.446 ' H ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -146.64 172.27 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.269 0.557 . . . . 0.0 112.395 -170.458 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.52 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 46.9 mtt180 -97.69 130.45 44.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.321 174.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -122.52 120.59 61.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -94.61 125.8 39.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -98.73 93.44 6.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.049 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' OD1' ' HA ' ' A' ' 7' ' ' PHE . 2.4 m-20 66.95 -64.81 0.23 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.095 0.872 . . . . 0.0 110.726 -174.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -126.07 3.2 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . 69.42 150.19 0.12 Allowed Pre-proline 0 N--CA 1.466 0.358 0 C-N-CA 123.004 0.521 . . . . 0.0 112.015 176.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 3.2 Cg_exo -77.87 38.63 0.69 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.313 2.675 . . . . 0.0 112.543 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . 65.32 106.1 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.366 0.603 . . . . 0.0 111.589 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 60' ' ' SER . 16.0 tptm -87.86 155.74 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.046 -175.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -88.01 126.43 35.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.464 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.62 128.96 27.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.626 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.567 HG23 HG12 ' A' ' 29' ' ' ILE . 62.0 mt -102.24 119.47 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -128.75 152.85 47.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.222 0.534 . . . . 0.0 112.183 -167.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB2' ' HG3' ' A' ' 27' ' ' LYS . . . -141.32 99.49 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 108.997 171.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -111.82 163.88 13.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.498 0.666 . . . . 0.0 111.707 -171.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -105.21 152.01 39.69 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.252 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.5 111.54 0.75 Allowed 'Trans proline' 0 C--O 1.24 0.598 0 C-N-CA 122.756 2.304 . . . . 0.0 111.969 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t70 64.44 -170.43 0.19 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.154 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -84.67 43.15 0.96 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.499 0.666 . . . . 0.0 110.578 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.8 m -77.52 -39.47 46.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.79 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HG2' ' CZ2' ' A' ' 25' ' ' TRP . 15.0 tptp -140.86 155.59 46.3 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -77.32 120.09 21.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.783 0.325 . . . . 0.0 110.26 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.76 147.8 34.25 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.409 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -95.91 171.92 8.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' B' ' 55' ' ' LYS . . . 150.93 166.09 13.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.651 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 tt -156.9 140.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.018 0.437 . . . . 0.0 110.774 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -94.46 141.58 28.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.904 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.471 ' HB2' ' HD1' ' A' ' 64' ' ' PHE . 5.3 mp -125.14 146.01 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.544 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 4.2 m -84.45 165.31 18.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.794 175.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -48.19 64.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 122.98 0.175 . . . . 0.0 111.252 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.58 -52.47 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.127 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.428 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 32.3 mt-10 -61.82 -44.4 96.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.203 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' O ' ' HG2' ' A' ' 67' ' ' MET . 5.9 t80 -65.69 -47.51 75.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.539 -177.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.89 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 m -55.8 -50.35 70.74 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.624 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 19.3 ptt? -64.12 -37.28 86.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.271 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.603 HG21 HD22 ' B' ' 75' ' ' LEU . 41.6 t -56.5 -56.36 14.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.211 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.677 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 33.7 t70 -69.03 -36.06 77.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.778 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -48.91 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.193 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 16.4 m-85 -68.51 -43.92 75.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.974 -176.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 69' ' ' ASP . 23.5 pttp -73.23 -12.23 60.79 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.339 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.9 1.05 56.46 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.557 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -127.41 -52.81 1.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 111.262 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.572 HD23 HG21 ' B' ' 68' ' ' VAL . 47.5 tp -100.3 126.54 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 73.09 107.88 0.07 Allowed 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.989 0.805 . . . . 0.0 109.887 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -142.92 28.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.467 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -135.76 41.05 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.29 -11.66 60.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.812 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -91.25 93.12 8.94 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -93.05 -175.1 3.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.923 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.066 174.872 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -92.56 157.7 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.81 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -162.55 126.13 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.629 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -80.64 95.62 6.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.011 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 70.54 -80.49 0.04 OUTLIER 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.927 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -139.19 -166.29 2.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.654 0.264 . . . . 0.0 110.997 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.476 ' HA ' ' OD1' ' B' ' 35' ' ' ASN . 67.4 m-85 -50.3 144.65 7.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.048 -178.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -132.13 128.32 37.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.201 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 33' ' ' SER . 43.3 p90 -123.28 145.28 48.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 178.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -146.36 128.88 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.499 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.558 HG12 HG22 ' B' ' 32' ' ' VAL . 57.2 mt -80.18 96.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.0 -36.54 19.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.561 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' B' ' 31' ' ' ARG . 33.5 tt0 -130.84 142.64 50.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -171.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.3 136.04 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.467 HD12 HG22 ' B' ' 29' ' ' ILE . 96.8 mt -90.54 -69.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.52 143.9 7.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.098 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.67 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 33.4 m -80.02 114.84 19.23 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.54 -69.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.251 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.428 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 69.2 m -163.42 155.17 17.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.946 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -82.75 145.66 29.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.492 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 8.3 m-20 -99.06 143.95 28.75 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 8.5 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -170.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -93.97 1.1 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.04 13.71 55.89 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.492 ' HB2' ' HB2' ' B' ' 21' ' ' ASN . 30.0 m0 -98.9 164.25 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -175.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -129.53 139.12 51.62 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.117 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -134.57 124.74 25.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.76 0.314 . . . . 0.0 110.42 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.67 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.0 pt-20 -151.28 -178.5 6.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.173 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 43' ' ' ILE . 48.1 mt -125.3 131.07 72.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.874 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -134.71 174.39 10.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.348 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.549 ' HB2' ' HB3' ' B' ' 13' ' ' GLU . 18.1 mtp180 -112.93 129.58 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.226 174.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.558 HG22 HG12 ' B' ' 11' ' ' ILE . 41.3 t -122.02 124.98 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 17.8 m -82.2 142.66 31.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -120.72 106.22 11.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.615 0.245 . . . . 0.0 111.134 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.476 ' OD1' ' HA ' ' B' ' 7' ' ' PHE . 45.3 m-80 61.02 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.266 0.626 . . . . 0.0 111.211 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.0 19.0 5.26 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.33 150.14 36.93 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.55 148.8 33.48 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.18 2.587 . . . . 0.0 112.532 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -62.65 117.97 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.997 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 98.3 mttt -94.63 175.0 6.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.012 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.58 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 93.0 m-85 -91.34 137.94 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.697 0.284 . . . . 0.0 110.762 -175.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -143.36 125.46 15.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.687 0.279 . . . . 0.0 110.561 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 29' ' ' ILE . 47.6 mt -98.13 123.03 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -139.37 146.95 40.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.262 0.553 . . . . 0.0 111.97 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.32 137.26 52.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.76 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -108.22 137.08 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.286 -174.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.618 ' HB2' ' O ' ' B' ' 52' ' ' LYS . 47.9 t -98.34 132.98 23.3 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.252 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.06 -25.36 4.1 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.715 2.277 . . . . 0.0 112.976 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -167.34 154.97 8.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.872 -0.149 . . . . 0.0 110.688 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 77.23 -10.99 1.26 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.649 0.78 . . . . 0.0 112.036 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m 65.45 81.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.501 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' B' ' 47' ' ' SER . 89.7 mttt -123.2 134.03 54.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.092 0.472 . . . . 0.0 110.325 174.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 88.1 mtp -96.98 111.5 23.69 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.641 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.39 45.98 3.44 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.278 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.63 ' HB3' ' O ' ' A' ' 56' ' ' GLY . 57.0 mttp 66.07 -174.04 0.18 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.985 0.514 . . . . 0.0 112.238 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.41 156.73 8.44 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.463 HD13 HG22 ' A' ' 43' ' ' ILE . 8.6 tt -158.06 133.68 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.162 0.506 . . . . 0.0 111.768 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.1 m -95.63 144.93 25.65 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.114 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.64 147.31 48.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -83.07 164.96 19.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.58 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 5.8 p30 -57.36 -48.46 78.95 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.58 -39.26 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.499 0.19 . . . . 0.0 111.127 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.21 -43.69 95.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.564 0.697 . . . . 0.0 109.565 176.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.495 ' O ' ' HG3' ' B' ' 67' ' ' MET . 9.3 t80 -63.56 -50.18 70.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.366 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -53.22 -39.35 63.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.045 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -60.83 -48.74 80.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.343 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -72.59 -30.68 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.157 -176.705 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.572 HG21 HD23 ' A' ' 75' ' ' LEU . 74.4 t -62.57 -44.57 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.625 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.23 -47.61 85.26 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.237 0.542 . . . . 0.0 110.642 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.455 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -60.18 -47.33 86.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.557 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.456 ' HB3' HG22 ' A' ' 68' ' ' VAL . 22.9 m-85 -78.23 -9.19 59.1 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.156 0.503 . . . . 0.0 110.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.595 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 85.6 tttt -82.86 -21.6 34.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.62 -23.31 50.83 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.117 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -158.79 -167.45 2.13 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 117.342 0.571 . . . . 0.0 111.252 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.603 HD22 HG21 ' A' ' 68' ' ' VAL . 0.4 OUTLIER 74.54 1.77 3.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.877 0.871 . . . . 0.0 111.902 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -84.8 66.59 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.251 1.024 . . . . 0.0 110.119 172.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -136.49 132.27 35.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.823 174.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -117.52 -88.68 0.6 Allowed 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.634 -0.827 . . . . 0.0 111.757 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 60.88 104.95 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.977 0.418 . . . . 0.0 110.742 -172.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -67.67 -22.25 65.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.637 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 32.8 m80 65.97 -87.64 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.232 0.613 . . . . 0.0 110.553 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.27 -0.872 . . . . 0.0 109.726 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 111.238 0.088 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 59.42 56.04 3.92 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.582 0.551 . . . . 0.0 110.739 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -74.45 80.2 1.92 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.25 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.772 ' HG3' ' H ' ' A' ' 6' ' ' GLU . 17.0 tpt -87.77 148.13 24.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.083 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.05 62.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 111.157 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.772 ' H ' ' HG3' ' A' ' 4' ' ' MET . 1.9 tm-20 -76.51 100.04 5.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.568 176.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -111.23 106.69 15.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.998 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -72.84 120.51 18.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.671 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -112.75 130.97 55.88 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HB2' ' OG ' ' A' ' 33' ' ' SER . 72.6 mm-40 -122.84 122.22 38.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.41 HG12 HG22 ' A' ' 32' ' ' VAL . 70.3 mt -80.86 104.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.21 -65.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.498 0.666 . . . . 0.0 110.85 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -134.05 141.09 47.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.835 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -93.68 116.18 28.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 HG22 ' A' ' 29' ' ' ILE . 96.5 mt -65.58 -57.64 7.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.84 135.38 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.866 173.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 m -78.54 104.0 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.856 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 83.6 mt -56.44 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.346 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -171.1 -178.13 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.864 0.364 . . . . 0.0 110.031 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.29 117.36 15.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -112.75 154.2 26.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.904 0.383 . . . . 0.0 111.72 -171.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 60.34 21.72 11.24 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.018 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.6 tttt 60.72 86.18 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.317 0.647 . . . . 0.0 111.022 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.44 -43.52 1.45 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.285 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -72.26 99.67 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.2 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 8.4 m -87.03 138.16 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.445 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HD3' HD23 ' B' ' 59' ' ' LEU . 38.5 ttmt -123.37 121.69 36.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' H ' ' A' ' 18' ' ' LEU . 11.8 pt-20 -150.36 179.33 8.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.258 0.551 . . . . 0.0 111.929 -174.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.541 HG12 HG23 ' A' ' 43' ' ' ILE . 53.9 mt -130.6 120.41 48.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.471 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -143.7 -178.92 6.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.952 0.406 . . . . 0.0 111.289 -175.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 31' ' ' ARG . 12.9 mtp180 -106.3 119.38 39.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.911 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 11' ' ' ILE . 40.7 t -114.29 121.94 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.243 176.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 13.3 p -91.88 145.93 24.15 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -123.6 121.8 36.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.508 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 p30 47.33 30.75 1.6 Allowed 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.376 1.048 . . . . 0.0 112.983 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.36 -156.19 27.07 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.355 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.597 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -84.6 -52.56 0.52 Allowed Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 6.1 Cg_endo -47.43 115.94 1.6 Allowed 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.382 2.721 . . . . 0.0 113.111 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.59 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -104.03 164.77 11.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.224 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 32.9 tptt -124.14 150.94 44.53 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -78.22 114.88 17.52 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 25.7 t70 -118.69 123.86 45.94 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.096 0.474 . . . . 0.0 111.188 -175.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.594 HG22 HD13 ' B' ' 57' ' ' ILE . 52.4 mt -101.82 108.34 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.49 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 16.1 ttm-85 -142.77 145.89 33.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 0.0 112.517 -170.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -110.74 114.43 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.794 170.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -111.37 151.73 28.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.253 0.549 . . . . 0.0 112.27 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.1 t -78.11 142.59 64.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.694 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.67 -72.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.277 2.652 . . . . 0.0 114.029 -173.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -124.99 -35.3 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -85.89 124.65 32.61 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 p -69.51 102.67 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.513 0.673 . . . . 0.0 111.179 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -124.86 15.94 8.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.636 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.7 mmt 68.66 -168.02 0.18 Allowed 'General case' 0 N--CA 1.462 0.173 0 O-C-N 124.124 0.89 . . . . 0.0 110.594 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.33 -179.48 44.71 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.695 ' HE2' ' HA ' ' B' ' 57' ' ' ILE . 50.8 mtpt -104.47 128.68 52.43 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -164.38 144.31 9.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.849 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.23 145.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.383 . . . . 0.0 110.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.417 ' HB ' ' HG2' ' A' ' 40' ' ' LYS . 25.0 p -96.19 140.85 30.29 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.652 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.84 150.73 42.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.268 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.9 m -87.64 165.23 15.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -64.52 -35.93 82.57 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.08 -42.33 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.246 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' THR . 40.2 mt-10 -64.7 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.508 0.67 . . . . 0.0 110.125 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' O ' ' HG3' ' A' ' 67' ' ' MET . 4.4 t80 -62.36 -51.13 68.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.664 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.94 -31.64 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 75.9 m -55.14 -45.34 75.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.843 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -78.69 -29.63 45.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.513 -178.069 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 t -56.06 -53.43 38.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.286 0.565 . . . . 0.0 110.41 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.583 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 19.2 t70 -71.58 -34.03 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' CB ' HD13 ' B' ' 16' ' ' LEU . . . -63.82 -40.03 95.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.319 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -73.96 -24.03 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.995 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' ASP . 34.6 ttmt -58.76 -39.85 82.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.47 0.653 . . . . 0.0 109.734 171.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.23 45.12 1.51 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.741 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -161.49 -66.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.108 0.454 . . . . 0.0 111.596 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD22 ' HD2' ' B' ' 64' ' ' PHE . 4.8 mp -94.16 -22.95 18.13 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.147 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 49.2 tt0 -77.72 104.86 8.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.126 0.489 . . . . 0.0 110.714 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -107.61 67.83 0.7 Allowed 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 171.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -48.61 123.81 7.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.724 -1.126 . . . . 0.0 110.573 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -82.4 55.77 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.905 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.4 t60 70.45 -62.33 0.44 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.658 0.783 . . . . 0.0 112.603 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -59.84 112.79 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.0 t60 . . . . . 0 C--O 1.244 0.802 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.129 171.614 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -81.78 143.05 32.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.939 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -88.71 -97.01 0.09 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.857 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 66.4 mtt 60.52 -175.21 0.11 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.545 0.528 . . . . 0.0 111.253 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.21 -4.67 21.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.289 0.566 . . . . 0.0 110.858 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -88.99 83.85 6.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.805 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -74.81 119.33 18.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.811 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -72.71 139.86 47.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.922 0.392 . . . . 0.0 110.202 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -145.2 122.41 11.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.129 0.49 . . . . 0.0 109.915 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -133.12 148.76 52.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.309 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.92 124.05 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.082 0.468 . . . . 0.0 111.17 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.544 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 18.2 mm-40 -88.71 -42.92 11.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.691 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -162.0 121.79 2.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.977 -173.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.441 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.8 OUTLIER -94.09 137.3 33.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.011 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.488 HD12 HG22 ' B' ' 29' ' ' ILE . 67.0 mt -82.13 -58.15 3.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -174.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -152.36 149.42 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 177.355 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.669 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 91.7 m -92.31 121.34 33.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.583 173.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.67 -58.41 3.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -162.35 155.78 20.56 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.365 0.602 . . . . 0.0 112.098 -173.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -111.15 103.59 12.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 168.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 14.8 m120 -87.82 124.97 34.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.129 -172.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 55.02 34.07 21.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.19 171.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 pttm 39.98 83.01 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.866 0.866 . . . . 0.0 112.478 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.99 -46.7 0.48 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.518 ' CZ2' ' HD2' ' B' ' 52' ' ' LYS . 10.7 m95 -84.72 104.23 14.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.543 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.8 m -97.88 135.66 39.31 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.885 174.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.515 ' HG3' ' HB2' ' B' ' 45' ' ' ALA . 31.9 ttpt -134.6 123.77 24.34 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.669 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.3 pt-20 -156.78 -179.27 8.03 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.465 0.65 . . . . 0.0 111.766 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.537 HG12 HG23 ' B' ' 43' ' ' ILE . 80.9 mt -117.37 116.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.972 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 8.0 p30 -139.49 168.12 20.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.3 mtm105 -103.26 119.23 38.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.683 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.56 131.38 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.43 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -91.34 113.84 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -88.73 121.85 31.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.752 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p30 43.91 -98.34 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.765 0.826 . . . . 0.0 112.295 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.42 32.33 3.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.872 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.22 155.72 41.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.65 140.32 46.21 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.065 2.51 . . . . 0.0 112.545 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.544 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -65.93 106.5 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.2 mttt -86.93 165.67 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.26 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -82.74 115.38 21.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.358 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -114.01 117.52 31.56 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.177 0.513 . . . . 0.0 109.743 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.537 HG23 HG12 ' B' ' 29' ' ' ILE . 8.1 mm -90.19 103.36 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -151.37 148.06 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.821 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' B' ' 27' ' ' LYS . . . -107.92 140.23 41.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.116 172.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' TRP . . . . . 0.543 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 9.8 p-90 -107.37 126.68 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.648 0.737 . . . . 0.0 110.316 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.474 ' OG ' ' HD2' ' B' ' 48' ' ' PRO . 22.9 t -91.89 155.12 43.57 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 114.108 -1.405 . . . . 0.0 110.085 -173.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.474 ' HD2' ' OG ' ' B' ' 47' ' ' SER . 47.6 Cg_endo -69.08 47.62 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.184 2.589 . . . . 0.0 112.744 175.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.62 ' CG ' ' H ' ' B' ' 50' ' ' HIS . 7.0 p-10 -170.43 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.67 177.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.62 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 67.5 m80 -143.87 -57.22 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 173.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 12.9 t -172.13 141.68 1.32 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.663 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.518 ' HD2' ' CZ2' ' B' ' 25' ' ' TRP . 56.8 mttm -117.78 -67.84 0.96 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 171.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 73.6 mtm -123.66 17.06 9.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 172.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -112.04 78.65 0.25 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.094 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -96.83 -47.93 5.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.461 0.648 . . . . 0.0 109.857 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLY . . . . . 0.466 ' O ' ' HB3' ' A' ' 55' ' ' LYS . . . 91.62 -179.1 41.54 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.961 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.695 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 8.8 tt -148.94 141.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.42 0.288 . . . . 0.0 110.284 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.5 m -97.92 117.93 33.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.336 0.589 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.586 HD23 ' HD3' ' A' ' 27' ' ' LYS . 56.4 mt -104.61 138.44 40.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.793 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.418 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 32.6 t -83.8 165.9 18.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -60.43 -27.68 67.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -64.09 -62.08 1.86 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.455 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.856 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 16.7 pm0 -72.17 -23.56 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 -177.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.577 ' O ' HG23 ' B' ' 68' ' ' VAL . 11.4 t80 -64.84 -52.47 56.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.118 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.113 0.483 . . . . 0.0 109.88 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.7 m -53.63 -51.54 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.437 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -71.07 -32.06 68.63 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.598 -176.11 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 64' ' ' PHE . 66.1 t -53.61 -48.31 59.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.289 0.566 . . . . 0.0 110.063 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.0 -42.43 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.926 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.34 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.453 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 17.6 m-85 -72.46 -28.2 62.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.145 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 7.9 mmtp -64.25 -30.34 71.4 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.502 0.668 . . . . 0.0 110.171 171.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.57 27.87 18.54 Favored Glycine 0 C--N 1.316 -0.551 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.269 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -143.2 -64.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 64' ' ' PHE . 6.2 mp -89.82 -31.49 17.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' B' ' 72' ' ' LYS . 24.2 tp10 -76.99 89.76 3.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.908 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -129.3 -51.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.349 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -156.95 139.11 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -128.61 118.35 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.156 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -95.02 46.71 1.13 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.6 0.714 . . . . 0.0 110.113 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -68.79 -19.12 64.29 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.851 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.246 0.87 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.862 174.785 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.724 0.297 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -99.87 135.61 41.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.138 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -75.21 126.18 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.963 0.411 . . . . 0.0 110.436 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.7 ttt -168.26 152.13 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.457 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.21 163.77 24.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 175.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.0 82.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.042 0.448 . . . . 0.0 110.362 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 58.89 -160.85 0.27 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.087 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m -115.73 118.48 33.16 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 171.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 33' ' ' SER . 50.5 p90 -126.41 147.48 49.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 111.566 -174.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.49 153.61 33.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.376 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.57 96.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 109.737 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 44.9 mm-40 -60.65 -43.18 97.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.1 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -157.42 126.21 5.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -83.57 103.89 13.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.411 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.484 HD12 HG22 ' A' ' 29' ' ' ILE . 67.7 mt -77.35 -64.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 -175.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' B' ' 67' ' ' MET . 87.8 mt -134.47 147.1 50.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.607 -173.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -106.56 117.45 34.08 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 10.0 mt -83.03 -68.41 0.71 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.56 ' HB3' ' OE2' ' B' ' 63' ' ' GLU . 22.8 t -179.8 171.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.571 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 13.4 tt0 -115.94 120.11 38.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.27 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 4.2 p-10 -115.36 169.57 9.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.436 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 57.98 15.85 3.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.975 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 58.56 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.392 0.615 . . . . 0.0 111.231 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.73 -34.99 5.36 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.749 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.526 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 40.0 m95 -76.37 96.49 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.286 0.565 . . . . 0.0 110.037 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 7.0 m -94.14 138.39 32.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HG2' ' HB2' ' A' ' 45' ' ' ALA . 35.5 mtmm -108.44 125.09 51.37 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -140.39 170.34 16.0 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.911 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.485 HG12 HG12 ' A' ' 43' ' ' ILE . 67.2 mt -120.84 119.8 60.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -147.2 166.63 26.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.222 0.534 . . . . 0.0 111.544 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HD3' ' HB1' ' A' ' 39' ' ' ALA . 54.5 mtt180 -87.09 141.09 28.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.939 174.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -126.98 133.53 68.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 20.8 p -113.11 123.4 50.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.146 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.48 113.11 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.639 0.257 . . . . 0.0 111.601 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 70.76 -60.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.957 0.903 . . . . 0.0 111.881 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.4 -127.38 4.22 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.684 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -135.54 42.99 0.81 Allowed Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 4.4 Cg_endo -85.72 93.02 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.161 1.907 . . . . 0.0 110.476 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.577 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -81.27 99.46 8.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.001 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 75.0 mttt -101.8 174.4 5.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 171.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -100.3 125.98 46.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.611 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.539 ' OD1' ' HB2' ' A' ' 44' ' ' ARG . 15.5 t70 -124.51 126.39 45.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.485 HG12 HG12 ' A' ' 29' ' ' ILE . 59.3 mt -98.59 104.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 173.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.539 ' HB2' ' OD1' ' A' ' 42' ' ' ASP . 3.2 tpp180 -118.54 143.06 47.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.304 0.573 . . . . 0.0 112.505 -167.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 27' ' ' LYS . . . -111.01 106.36 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.877 168.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.526 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 60.7 p-90 -108.77 143.04 38.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.093 0.473 . . . . 0.0 111.645 -175.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.415 ' O ' ' HE3' ' A' ' 46' ' ' TRP . 5.6 p -76.42 160.12 78.22 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.406 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.31 -31.1 55.1 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.861 2.374 . . . . 0.0 112.594 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -122.14 147.96 45.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -88.53 14.69 9.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -171.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.3 p -81.68 -10.32 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.799 0.333 . . . . 0.0 111.555 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -108.64 177.6 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.117 0.484 . . . . 0.0 111.414 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -92.97 170.16 9.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.856 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.55 125.68 1.42 Allowed Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -77.91 149.13 34.28 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.359 0.599 . . . . 0.0 111.272 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.505 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -164.05 -172.02 31.0 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.529 HD11 ' HD2' ' B' ' 27' ' ' LYS . 10.2 tp -140.11 128.91 26.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 117.292 0.546 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 p -91.01 118.71 30.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.702 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.48 134.4 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.017 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 m -83.41 166.35 18.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.807 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -55.53 -36.43 66.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.231 0.538 . . . . 0.0 110.961 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.91 -54.41 46.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.878 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.18 -38.51 85.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.772 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.66 ' HD2' HD21 ' B' ' 75' ' ' LEU . 3.2 t80 -61.61 -53.77 51.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.862 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -59.28 -38.15 79.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.678 0.275 . . . . 0.0 110.808 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -55.94 -49.93 72.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.57 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.539 ' HA ' HD11 ' B' ' 16' ' ' LEU . 22.3 ptt? -67.24 -36.57 81.91 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.291 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.588 HG21 HD22 ' B' ' 75' ' ' LEU . 77.7 t -59.33 -50.04 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.223 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.536 ' HA ' ' HG2' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -63.02 -43.39 98.89 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.869 0.366 . . . . 0.0 111.497 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.25 -40.92 91.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.099 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.614 ' HB3' HG13 ' B' ' 68' ' ' VAL . 22.6 m-85 -81.24 -35.28 31.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.935 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.578 ' HE3' HG12 ' A' ' 68' ' ' VAL . 14.8 ptpt -64.22 -25.92 68.28 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.581 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -102.46 11.36 56.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.309 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.94 -59.69 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.265 0.532 . . . . 0.0 112.37 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.743 ' HB3' HG11 ' B' ' 68' ' ' VAL . 19.7 tp -91.45 164.4 13.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.083 -170.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.535 ' HB3' ' HE2' ' B' ' 72' ' ' LYS . 1.0 OUTLIER 75.37 -73.56 0.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.484 0.714 . . . . 0.0 109.163 -179.088 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -173.15 151.39 2.08 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 169.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -87.23 157.1 19.4 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -53.94 134.88 43.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.826 0.346 . . . . 0.0 110.323 174.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -60.11 139.53 57.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.006 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -75.37 -38.22 60.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 109.819 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.611 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -93.58 81.44 4.33 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -139.75 7.14 2.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.022 -175.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.8 ttt -140.19 109.72 6.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.49 164.75 37.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.975 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -79.07 93.02 5.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.021 0.439 . . . . 0.0 110.323 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -63.73 -70.47 0.22 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.987 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.0 t -132.52 137.61 47.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -145.02 141.74 29.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.764 0.316 . . . . 0.0 110.172 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.94 153.32 52.11 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.44 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -83.05 111.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.355 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.657 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 9.8 mm-40 -75.82 -49.91 16.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -150.3 117.42 5.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.74 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -78.75 107.74 11.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.502 HD12 HG22 ' B' ' 29' ' ' ILE . 88.1 mt -65.94 -69.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.495 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 67' ' ' MET . 1.2 pt? -155.75 161.52 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -99.28 127.83 45.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.585 174.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 82.1 mt -82.21 -59.61 2.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.986 0.422 . . . . 0.0 110.136 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -154.6 160.14 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' B' ' 23' ' ' LYS . 0.9 OUTLIER -129.87 106.02 8.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 60.2 t30 -110.98 141.22 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.211 -169.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 63.81 10.63 5.31 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.865 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' OE1' ' B' ' 20' ' ' GLU . 47.3 tttm 56.79 84.23 0.09 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.033 0.533 . . . . 0.0 110.616 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.497 ' HA3' ' HG3' ' B' ' 48' ' ' PRO . . . 136.48 -35.48 2.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.753 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 77.9 m95 -87.5 84.21 7.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' B' ' 45' ' ' ALA . 23.5 m -92.98 136.52 33.19 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.068 -173.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.529 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -105.46 122.73 46.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.404 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -151.3 175.57 12.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.611 . . . . 0.0 111.608 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.542 HG12 HG23 ' B' ' 43' ' ' ILE . 51.1 mt -131.11 123.75 54.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.912 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -143.79 166.47 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.102 0.477 . . . . 0.0 111.361 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.628 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 45.9 mtt-85 -85.23 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.838 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.81 126.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.375 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 6.2 p -99.84 136.46 39.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -113.2 108.32 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.121 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 t30 59.47 36.84 23.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.496 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.76 67.78 1.62 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.403 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -147.17 158.71 44.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -46.53 125.48 9.31 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.327 2.685 . . . . 0.0 112.182 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.657 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -62.92 125.17 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.877 -175.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 58.5 mttp -106.81 169.7 8.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 177.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' B' ' 15' ' ' LEU . 72.4 m-85 -99.47 116.83 32.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.3 . . . . 0.0 110.727 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -112.17 121.65 45.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.542 HG23 HG12 ' B' ' 29' ' ' ILE . 56.8 mt -101.63 109.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.729 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 8.5 ptp180 -150.71 -173.72 4.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.511 0.672 . . . . 0.0 112.156 -174.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' B' ' 27' ' ' LYS . . . -122.36 150.05 42.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.01 175.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' TRP . . . . . 0.514 ' O ' ' HA ' ' B' ' 25' ' ' TRP . 96.9 m95 -108.52 149.94 28.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.449 ' HB2' ' HB2' ' B' ' 52' ' ' LYS . 23.1 p -100.73 154.03 37.4 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.548 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.497 ' HG3' ' HA3' ' B' ' 24' ' ' GLY . 38.1 Cg_exo -59.96 -65.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.895 2.397 . . . . 0.0 112.795 -177.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -151.51 165.41 34.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.43 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 70.7 14.94 7.08 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.47 0.708 . . . . 0.0 110.391 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 36.8 p 46.28 73.9 0.16 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.138 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' B' ' 47' ' ' SER . 60.5 mttm -81.47 173.83 12.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.902 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 26.0 mmt -77.29 108.65 10.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.189 0.518 . . . . 0.0 111.287 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.25 95.42 0.34 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -86.12 172.15 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLY . . . . . 0.729 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . -169.8 -179.71 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.767 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.505 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 21.1 tt -132.28 140.29 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.148 0.499 . . . . 0.0 111.008 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -100.67 129.63 46.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.312 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.4 mt -113.66 140.2 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -81.67 173.09 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.328 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -52.58 -56.76 13.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.79 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -64.66 -43.69 92.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.56 ' OE2' ' HB3' ' A' ' 19' ' ' SER . 40.8 mt-10 -61.1 -40.61 94.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.685 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -67.39 -45.88 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.085 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -57.59 -44.18 85.22 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.5 m -53.75 -51.98 61.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.69 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.49 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.73 -36.48 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.113 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.743 HG11 ' HB3' ' A' ' 75' ' ' LEU . 48.7 t -61.39 -48.38 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-O 120.62 0.248 . . . . 0.0 110.893 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.54 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 22.6 t70 -62.9 -40.82 98.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.394 . . . . 0.0 111.132 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.93 78.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.153 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.23 -26.52 61.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.74 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 23.9 ttpp -57.98 -37.45 74.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.273 0.558 . . . . 0.0 110.142 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.64 33.97 6.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.926 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -152.29 -178.65 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 64' ' ' PHE . 6.5 mp 55.82 -162.34 0.16 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.823 0.449 . . . . 0.0 110.838 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.433 ' H ' ' HB3' ' B' ' 75' ' ' LEU . 33.4 tt0 66.32 163.67 0.18 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.463 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -117.54 79.53 1.36 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.486 0.66 . . . . 0.0 109.494 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -104.07 144.93 30.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.079 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -70.9 -50.96 29.2 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -75.51 91.15 2.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.358 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -141.0 173.8 11.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.39 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.103 174.067 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -118.49 18.51 13.55 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 122.037 -0.414 . . . . 0.0 111.025 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 3' ' ' LYS . 33.0 tptt 61.92 24.01 14.23 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.682 173.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.9 ttp -70.31 129.01 38.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 68.85 19.49 8.31 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.906 0.754 . . . . 0.0 111.526 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' OE2' ' HD2' ' A' ' 3' ' ' LYS . 36.0 mt-10 -111.71 21.2 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.976 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -128.73 151.85 49.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.211 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.0 m -103.92 119.11 38.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.162 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -113.68 137.68 51.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -144.68 141.0 28.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.076 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.507 HG12 HG22 ' A' ' 32' ' ' VAL . 58.9 mt -81.86 114.94 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -91.2 -52.34 4.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.175 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 56.3 tt0 -127.23 143.92 51.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.402 -174.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -115.9 116.2 27.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 29' ' ' ILE . 95.6 mt -76.19 -72.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.071 -174.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -158.31 164.62 36.22 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.145 0.498 . . . . 0.0 111.387 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.667 HG23 ' HG2' ' A' ' 28' ' ' GLU . 19.8 m -100.0 123.97 44.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.431 173.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 93.8 mt -77.8 -59.81 2.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.603 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.4 p -165.37 171.67 13.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 111.286 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -123.83 113.18 18.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 13.5 m120 -106.16 147.42 29.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 63.11 -86.95 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.357 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -178.02 82.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.45 -20.58 6.94 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.105 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.478 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 91.8 m95 -81.87 82.96 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 m -87.3 137.51 32.28 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 3.7 ttmp? -115.21 119.62 36.96 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 17' ' ' THR . 37.0 mt-10 -138.11 167.34 22.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.039 0.447 . . . . 0.0 111.062 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 15' ' ' LEU . 40.0 mt -130.5 130.14 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.52 -0.763 . . . . 0.0 108.983 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -148.59 -174.99 4.75 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.564 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 12.3 mtp85 -121.62 106.08 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.792 -177.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 11' ' ' ILE . 77.7 t -101.23 140.55 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.39 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 t -108.79 146.24 33.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 0.0 110.368 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -118.25 111.71 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.697 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 68.32 -73.11 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.563 0.745 . . . . 0.0 111.283 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.07 54.88 0.41 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -98.61 163.66 18.54 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 66.2 Cg_endo -75.33 17.21 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.577 2.185 . . . . 0.0 112.385 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . 67.05 105.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.451 0.7 . . . . 0.0 111.31 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 67.4 mttm -94.69 175.27 6.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.348 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -100.69 136.61 40.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.37 132.4 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.413 0.625 . . . . 0.0 110.493 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.519 HG23 HG12 ' A' ' 29' ' ' ILE . 59.8 mt -107.04 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.062 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.841 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 77.3 mtp180 -132.25 162.02 32.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.46 0.648 . . . . 0.0 112.075 -172.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.431 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -111.45 142.61 43.5 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.047 171.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 78.1 m95 -108.06 125.09 51.16 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.9 0.381 . . . . 0.0 110.224 -178.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t -73.19 153.1 90.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.965 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.9 103.88 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.378 2.052 . . . . 0.0 110.901 172.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 50' ' ' HIS . 15.8 t70 68.13 -163.75 0.2 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.077 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.518 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 37.2 m-70 -89.65 37.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.274 0.559 . . . . 0.0 110.543 -173.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.9 p -75.89 -76.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.616 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -99.84 163.08 12.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.111 0.481 . . . . 0.0 111.283 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 40.5 tpp -82.92 114.57 21.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.238 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 45' ' ' ALA . . . -64.14 121.77 23.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.109 -177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -63.0 145.71 54.81 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.793 0.349 . . . . 0.0 110.097 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.841 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . -174.54 160.22 29.47 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.621 -178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.5 tp -124.05 133.77 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.898 0.38 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.8 m -94.58 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.329 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.77 132.93 52.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.067 0.46 . . . . 0.0 110.745 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t -78.0 172.66 13.17 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -53.64 54.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.537 -173.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.1 -42.59 96.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.334 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 39.2 mt-10 -60.57 -46.4 90.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.413 0.625 . . . . 0.0 110.235 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' A' ' 67' ' ' MET . 15.8 t80 -63.47 -46.7 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.095 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -59.18 -37.67 77.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.3 m -54.79 -52.69 61.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 15.6 ptt? -66.78 -36.11 81.65 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.617 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.569 HG21 HD22 ' B' ' 75' ' ' LEU . 43.9 t -59.56 -61.04 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.293 -176.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.24 -37.27 82.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.923 0.392 . . . . 0.0 110.6 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.64 55.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.254 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.63 ' HB3' HG22 ' B' ' 68' ' ' VAL . 23.0 m-85 -72.39 -32.08 66.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.616 0.246 . . . . 0.0 111.025 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.88 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 64.1 tttm -53.21 -36.26 60.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.461 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.34 1.35 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -148.69 -65.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.86 0.33 . . . . 0.0 111.745 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.73 HD23 HG21 ' B' ' 68' ' ' VAL . 25.6 tp -65.38 -39.96 92.91 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.998 -173.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -72.56 102.34 3.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.43 -175.48 5.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.672 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -75.1 69.49 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.256 0.551 . . . . 0.0 111.257 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -69.13 124.21 23.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.195 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -138.79 160.13 40.44 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.448 -173.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.5 t60 72.98 86.57 0.11 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 124.165 0.916 . . . . 0.0 109.668 -175.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.8 t60 . . . . . 0 C--O 1.249 1.044 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.464 -175.143 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.622 ' O ' ' HA ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -79.31 -8.25 58.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.694 0.759 . . . . 0.0 110.271 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.554 ' HD2' ' N ' ' B' ' 3' ' ' LYS . 0.2 OUTLIER -84.65 127.01 33.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.045 175.305 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 72.4 mtm 68.06 -168.4 0.19 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.773 0.671 . . . . 0.0 111.206 -173.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.08 -18.39 32.52 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -172.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.81 76.91 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.476 0.655 . . . . 0.0 110.566 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.622 ' HA ' ' O ' ' B' ' 1' ' ' MET . 48.0 t80 -75.3 -79.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.678 -173.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.404 HG23 ' CD2' ' B' ' 7' ' ' PHE . 6.5 p -103.28 128.37 50.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.472 ' HB2' HG11 ' B' ' 32' ' ' VAL . 25.3 p90 -119.23 121.1 38.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.809 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.749 ' HB2' ' HB3' ' B' ' 33' ' ' SER . 18.6 mt-10 -120.08 117.23 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.177 -177.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.57 99.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 0.0 110.076 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -88.46 -50.17 6.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.063 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 38.4 tt0 -125.25 125.72 44.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.626 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -99.7 121.98 42.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 29' ' ' ILE . 96.1 mt -97.01 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.794 -175.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 67' ' ' MET . 88.0 mt -132.79 147.23 52.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.481 ' HA ' ' HG2' ' B' ' 28' ' ' GLU . 45.3 m -106.16 101.08 10.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.1 -64.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.612 -172.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.458 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 41.4 t -155.04 150.73 27.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.766 -175.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -105.67 102.63 12.07 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -115.4 153.44 31.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 64.74 5.82 2.98 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.821 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.9 mttm 52.25 81.79 0.08 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.442 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.22 -26.3 3.4 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.166 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -103.85 93.97 5.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.855 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -87.21 137.18 32.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.202 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 35.3 ttpt -117.28 116.08 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.481 ' HG2' ' HA ' ' B' ' 17' ' ' THR . 46.7 mt-10 -134.8 170.74 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.438 0.637 . . . . 0.0 111.718 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.497 HG12 HG23 ' B' ' 43' ' ' ILE . 60.9 mt -117.78 136.37 55.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.843 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.489 HD22 ' N ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -164.68 -174.23 3.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -176.593 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.486 ' HD3' ' CE2' ' B' ' 41' ' ' PHE . 41.1 mtm180 -125.41 114.11 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.963 0.411 . . . . 0.0 110.502 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' B' ' 9' ' ' PHE . 58.2 t -100.34 137.11 28.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.886 -178.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.749 ' HB3' ' HB2' ' B' ' 10' ' ' GLU . 30.1 t -82.16 117.95 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.197 173.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.74 105.2 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 64.15 16.0 9.71 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.487 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.56 -149.48 16.74 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -174.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.486 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.65 171.61 0.09 OUTLIER Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.59 0.356 . . . . 0.0 111.362 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.486 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 52.2 Cg_exo -56.77 125.28 18.49 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.132 1.888 . . . . 0.0 111.906 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.06 125.21 16.55 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.896 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.781 ' HE3' ' HA ' ' B' ' 40' ' ' LYS . 0.6 OUTLIER -86.12 152.47 22.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.541 -177.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.486 ' CE2' ' HD3' ' B' ' 31' ' ' ARG . 22.6 m-85 -80.77 128.84 34.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.687 ' HB3' HG22 ' B' ' 58' ' ' THR . 8.3 p-10 -138.72 136.41 35.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.503 0.668 . . . . 0.0 111.424 178.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.497 HG23 HG12 ' B' ' 29' ' ' ILE . 52.9 mt -116.44 113.05 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.901 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.559 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 4.4 ppt_? -162.58 177.52 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.876 0.369 . . . . 0.0 111.695 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -114.58 155.86 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.951 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' TRP . . . . . 0.456 ' HB2' ' HA ' ' B' ' 51' ' ' THR . 67.8 p-90 -130.1 154.88 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.409 ' HB2' ' CB ' ' B' ' 52' ' ' LYS . 1.5 m -119.45 167.95 11.08 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.688 -170.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' B' ' 49' ' ' ASP . 43.8 Cg_exo -57.88 103.7 0.15 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.187 2.591 . . . . 0.0 113.202 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' B' ' 48' ' ' PRO . 14.4 t70 163.31 -76.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.839 1.255 . . . . 0.0 107.768 177.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -153.84 -47.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.02 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.456 ' HA ' ' HB2' ' B' ' 46' ' ' TRP . 33.1 m -152.27 -37.92 0.11 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.708 175.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.409 ' CB ' ' HB2' ' B' ' 47' ' ' SER . 31.6 tttp 68.41 -80.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.526 0.73 . . . . 0.0 110.542 -177.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 66.4 mtt -146.95 116.07 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.48 83.31 1.6 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.486 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -79.34 115.81 19.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLY . . . . . 0.559 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . 173.89 -154.72 20.31 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 11.6 tt -138.19 138.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.97 0.414 . . . . 0.0 111.154 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.687 HG22 ' HB3' ' B' ' 42' ' ' ASP . 16.7 p -102.95 133.04 48.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.493 174.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.805 HD21 ' HD1' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -144.27 168.64 19.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.722 0.296 . . . . 0.0 111.458 -173.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.551 ' HA ' ' HE2' ' B' ' 40' ' ' LYS . 12.1 t -96.6 173.18 7.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.367 0.603 . . . . 0.0 111.773 -171.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -29.37 70.61 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.618 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.96 -60.13 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.627 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 mp0 -57.71 -39.75 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.847 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.805 ' HD1' HD21 ' B' ' 59' ' ' LEU . 1.0 OUTLIER -56.65 -48.13 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.347 -178.795 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -67.07 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.406 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.9 m -57.06 -49.46 75.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.429 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 23.6 ptt? -68.37 -32.79 73.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.73 HG21 HD23 ' A' ' 75' ' ' LEU . 48.6 t -60.89 -44.28 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.42 -48.45 72.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.448 . . . . 0.0 110.728 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.12 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.285 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 24.9 m-85 -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.88 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 81.2 tttt -76.94 -25.54 53.01 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 -11.09 50.4 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.827 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -123.27 166.66 14.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.447 -0.443 . . . . 0.0 110.168 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 68' ' ' VAL . 5.6 mp 58.42 -162.49 0.22 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.37 0.268 . . . . 0.0 110.477 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.428 ' H ' ' HB3' ' B' ' 75' ' ' LEU . 0.7 OUTLIER 77.06 -41.6 0.39 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.783 0.677 . . . . 0.0 110.171 174.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 14.1 p80 42.45 70.14 0.32 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.414 1.086 . . . . 0.0 112.654 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -98.71 54.91 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 173.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -159.19 153.85 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.505 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -70.3 178.03 3.05 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.044 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -75.26 170.18 16.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 0.0 110.72 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 p80 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.13 -179.62 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 121.111 0.482 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.64 165.06 25.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.149 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.41 139.42 58.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.279 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.71 111.42 23.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.075 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 34' ' ' PHE . . . -162.72 -51.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.035 0.445 . . . . 0.0 111.206 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.86 76.43 10.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.319 0.58 . . . . 0.0 111.172 -172.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -139.7 -77.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.366 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 t -133.94 161.87 33.6 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.606 -0.886 . . . . 0.0 108.606 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.581 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 49.2 p90 -140.68 147.24 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.631 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.7 149.68 33.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.586 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.84 98.99 7.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.5 -32.37 17.22 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.534 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 8.3 tp10 -123.44 141.57 51.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.941 0.4 . . . . 0.0 110.98 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -117.86 125.46 50.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.796 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 29' ' ' ILE . 86.7 mt -100.58 -70.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.127 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 82.6 mt -134.98 147.62 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 -173.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -106.64 120.02 40.86 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 165.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 mt -87.98 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p -161.01 163.76 31.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 112.165 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -102.85 107.65 18.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.004 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.21 125.39 35.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.779 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 58.1 20.67 7.16 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.102 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 tttp 55.72 84.04 0.08 Allowed 'General case' 0 CA--C 1.53 0.177 0 O-C-N 123.699 0.624 . . . . 0.0 111.078 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.64 -51.06 0.54 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.908 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -86.5 98.22 10.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 137.36 32.41 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.93 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 39.0 ttmt -112.74 131.24 55.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.875 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 11.7 pt-20 -148.09 174.0 12.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.337 0.589 . . . . 0.0 111.505 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 15' ' ' LEU . 63.1 mt -123.31 122.54 65.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.734 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -148.05 -175.62 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.907 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.59 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 61.9 mtp180 -113.83 119.64 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.535 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.581 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 79.0 t -101.1 124.35 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.815 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.505 ' HB3' ' HA ' ' A' ' 37' ' ' ALA . 2.8 m -89.96 113.69 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.779 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.441 ' HB3' ' O ' ' A' ' 5' ' ' ALA . 95.9 m-85 -92.01 112.34 24.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.472 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 68.8 -63.67 0.35 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.853 0.861 . . . . 0.0 111.784 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.501 ' C ' ' HD3' ' A' ' 38' ' ' PRO . . . -98.47 -133.39 7.99 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -128.26 61.87 55.53 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.865 0.332 . . . . 0.0 111.808 174.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 93.6 Cg_endo -105.02 46.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 123.836 3.024 . . . . 0.0 110.687 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.59 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -52.85 107.05 0.19 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.572 -170.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 57.5 mttp -99.55 172.06 7.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.318 176.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.09 127.34 33.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.787 0.327 . . . . 0.0 110.282 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' OD1' ' HD2' ' A' ' 44' ' ' ARG . 13.0 t70 -130.99 119.11 21.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.1 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.596 HG22 HD13 ' B' ' 57' ' ' ILE . 54.2 mt -95.23 112.3 27.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HD2' ' OD1' ' A' ' 42' ' ' ASP . 10.9 ptm85 -145.22 164.25 31.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.488 0.661 . . . . 0.0 112.145 -169.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -126.02 127.31 45.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.831 172.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -108.29 146.86 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.425 0.631 . . . . 0.0 111.122 -177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.407 ' HB3' ' HD2' ' A' ' 48' ' ' PRO . 3.9 m -88.94 161.21 41.75 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.892 -174.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 47' ' ' SER . 14.7 Cg_endo -58.63 -43.84 41.66 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.419 2.079 . . . . 0.0 111.498 176.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -158.59 -66.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.2 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -76.38 106.59 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.288 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.4 t -98.16 162.13 13.36 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.863 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -99.13 -87.22 0.35 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -129.49 -44.1 1.25 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.12 113.09 1.96 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.448 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -95.41 99.11 11.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.057 0.456 . . . . 0.0 109.97 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.551 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -139.06 173.29 22.74 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.561 ' HB ' ' HA2' ' B' ' 56' ' ' GLY . 20.2 tt -148.86 142.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.481 0.641 . . . . 0.0 112.08 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.8 p -92.16 143.09 26.79 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.053 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.7 mt -128.25 129.59 46.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -77.64 171.08 15.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.48 -42.78 88.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.55 -53.45 54.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.243 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.42 -41.52 98.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.143 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.481 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 29.4 t80 -65.21 -44.63 87.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.75 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -63.18 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -53.04 -51.45 61.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.299 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 16.5 ptt? -66.16 -40.73 90.77 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.877 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.575 HG21 HD23 ' B' ' 75' ' ' LEU . 66.8 t -57.48 -52.31 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.778 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 18.9 t70 -64.45 -48.21 76.17 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 110.936 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.17 86.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.563 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -82.69 -35.31 26.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -62.62 -28.08 69.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.94 -178.367 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 72' ' ' LYS . . . -105.49 33.83 6.23 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.335 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -155.44 -53.38 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.732 0.266 . . . . 0.0 111.398 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.555 HD23 HG21 ' B' ' 68' ' ' VAL . 30.4 tp -109.49 33.59 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.81 -171.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -75.15 95.05 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.485 0.659 . . . . 0.0 109.835 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -98.98 26.62 5.63 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.184 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -53.92 134.79 43.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.718 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -53.58 127.11 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 110.36 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.79 157.81 36.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.16 -169.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -132.48 159.43 39.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.179 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.3 m80 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.816 179.527 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt 74.2 -41.43 0.48 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.958 0.903 . . . . 0.0 111.786 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -82.35 93.6 7.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.709 0.766 . . . . 0.0 110.223 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.41 2.67 42.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.445 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.15 102.89 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.62 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -99.14 -13.71 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.998 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 35.5 p90 49.24 179.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.707 1.203 . . . . 0.0 113.323 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 36.6 m -133.21 118.58 18.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.126 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -108.11 133.22 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 151.11 36.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.218 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.7 mt -93.95 107.39 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.198 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.54 -40.41 35.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.154 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -149.09 114.81 5.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.106 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -98.36 125.41 43.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.35 -73.84 0.22 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.619 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.45 148.79 29.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.081 0.467 . . . . 0.0 110.72 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.6 m -86.03 121.35 28.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.535 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.26 -63.21 1.13 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.4 m -164.4 170.92 15.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.36 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -106.79 107.35 18.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 172.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' B' ' 22' ' ' GLU . 6.6 t-20 -90.31 130.56 36.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.028 -170.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.431 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 22.1 mm-40 59.95 23.37 12.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.03 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' B' ' 23' ' ' LYS . 72.1 mmtt 52.11 87.95 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.443 0.639 . . . . 0.0 111.704 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.83 -47.21 0.95 Allowed Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.796 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -86.45 97.55 10.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 0.0 109.748 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -85.4 137.47 32.91 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.409 ' CD ' HD11 ' A' ' 57' ' ' ILE . 30.3 ttpt -119.58 117.92 29.64 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -176.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' B' ' 29' ' ' ILE . 31.0 tt0 -135.86 155.5 50.22 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.85 -170.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.572 HG12 HG12 ' B' ' 43' ' ' ILE . 59.5 mt -108.69 115.61 49.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.334 173.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.26 174.45 10.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.847 0.356 . . . . 0.0 111.142 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.519 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 78.4 mtp180 -109.75 119.73 40.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.671 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.83 137.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.996 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' B' ' 36' ' ' GLY . 66.4 m -114.91 144.54 43.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 176.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.26 108.42 15.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.969 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 71.28 -61.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.047 0.842 . . . . 0.0 111.33 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' B' ' 33' ' ' SER . . . -92.36 -149.54 24.63 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 175.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 63.42 60.61 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.374 0.587 . . . . 0.0 112.238 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.2 -26.85 4.82 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.216 1.944 . . . . 0.0 111.227 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' B' ' 31' ' ' ARG . . . 43.76 78.78 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.773 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 95.3 mttt -91.89 157.55 16.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -79.02 128.53 33.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.036 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.34 134.03 44.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.866 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.572 HG12 HG12 ' B' ' 29' ' ' ILE . 52.4 mt -114.37 108.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.631 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.555 ' HA ' HD12 ' A' ' 57' ' ' ILE . 18.4 ptp180 -147.21 173.74 12.26 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.717 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.58 147.0 35.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.968 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -111.63 135.22 52.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.024 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.832 ' HB2' ' HA ' ' B' ' 51' ' ' THR . 5.4 m -82.01 142.01 47.71 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.393 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.23 127.02 14.39 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.64 2.227 . . . . 0.0 111.881 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 58.85 92.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.765 0.666 . . . . 0.0 111.272 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 66.26 104.56 0.04 OUTLIER 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.275 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.832 ' HA ' ' HB2' ' B' ' 47' ' ' SER . 9.4 t -62.52 143.22 57.44 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.092 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -115.13 -71.0 0.76 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.227 -172.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -108.6 97.9 7.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.909 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.22 62.71 4.52 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.784 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -74.98 127.56 33.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.197 0.523 . . . . 0.0 110.799 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLY . . . . . 0.561 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . -177.49 -174.99 44.36 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.596 HD13 HG22 ' A' ' 43' ' ' ILE . 17.3 tt -136.93 133.53 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.225 0.536 . . . . 0.0 111.577 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -89.26 135.53 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.121 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -120.86 144.15 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.759 0.314 . . . . 0.0 110.708 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.4 m -79.77 168.0 19.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -56.2 -51.55 67.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.99 -49.3 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.136 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -57.0 -47.0 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.253 0.549 . . . . 0.0 110.629 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.492 ' O ' ' HG2' ' B' ' 67' ' ' MET . 7.3 t80 -62.19 -51.58 67.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.493 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLN . . . . . 0.413 ' OE1' ' HG ' ' A' ' 75' ' ' LEU . 23.4 mm-40 -56.52 -38.68 72.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.704 176.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.0 m -60.14 -49.02 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.19 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 17.5 ptt? -64.64 -35.36 80.78 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.524 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.555 HG21 HD23 ' A' ' 75' ' ' LEU . 96.5 t -62.79 -57.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 0.0 110.477 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.9 -51.95 62.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.011 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 -50.95 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.132 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.481 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 14.8 m-85 -68.78 -28.86 67.15 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.698 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -63.35 -33.22 75.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.232 0.539 . . . . 0.0 110.068 174.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.98 25.38 26.55 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.446 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' B' ' 71' ' ' PHE . 45.7 t30 -141.1 -68.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.788 0.294 . . . . 0.0 111.383 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.575 HD23 HG21 ' A' ' 68' ' ' VAL . 36.8 tp -80.28 -25.57 39.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.141 -0.223 . . . . 0.0 111.333 -172.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -62.66 113.34 2.94 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.142 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -133.23 110.44 10.12 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.551 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -93.17 147.0 23.26 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 171.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -71.19 -6.15 37.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.466 0.651 . . . . 0.0 109.52 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -110.01 105.45 14.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.063 173.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 29.5 m170 68.86 89.46 0.1 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.617 0.767 . . . . 0.0 112.967 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 . . . . . 0 C--O 1.252 1.224 0 CA-C-O 117.815 -1.088 . . . . 0.0 113.151 171.314 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 tpp . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.992 0.425 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -152.81 143.4 22.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.764 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -76.67 84.5 3.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.967 0.889 . . . . 0.0 110.13 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.48 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 36.5 ttp -149.73 -171.72 3.97 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.48 ' H ' ' HG2' ' A' ' 4' ' ' MET . . . -64.74 88.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.57 0.623 . . . . 0.0 109.632 170.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.92 131.96 27.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.546 -174.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -82.51 100.46 10.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.989 0.423 . . . . 0.0 110.67 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 p -80.18 118.24 21.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.624 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' SER . 21.2 p90 -104.46 127.99 52.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 109.823 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -137.15 146.97 45.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.621 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.469 HD11 ' HZ2' ' A' ' 46' ' ' TRP . 64.3 mt -77.97 117.29 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.608 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 3.1 mm-40 -84.16 -44.89 13.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -155.28 127.17 7.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -78.88 116.08 18.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.89 -53.36 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.5 OUTLIER -154.38 113.13 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 -174.641 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.6 m -88.9 106.69 18.56 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.544 HD23 HD22 ' A' ' 16' ' ' LEU . 89.1 mt -73.7 -67.17 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.064 -169.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -168.95 172.28 7.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -172.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 32.3 tt0 -117.34 124.05 47.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -94.34 128.35 40.78 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 53.97 28.82 9.11 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.648 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 52.5 88.89 0.03 OUTLIER 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.575 -175.35 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' H ' ' HG2' ' A' ' 20' ' ' GLU . . . 152.23 -65.4 0.35 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.115 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -84.59 100.26 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.268 0.556 . . . . 0.0 110.621 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 6.8 m -86.93 139.76 30.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.141 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -113.73 122.72 47.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -139.28 151.55 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.491 0.662 . . . . 0.0 111.737 -171.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.509 HG12 HG23 ' A' ' 43' ' ' ILE . 63.0 mt -114.03 126.03 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.063 174.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -151.18 167.19 28.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.495 -173.586 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 51.4 mtp180 -99.63 125.92 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.721 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.9 t -113.33 130.54 67.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.048 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 12' ' ' GLU . 39.5 t -90.21 127.1 36.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.717 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -109.04 108.43 19.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 32.03 -86.45 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.242 1.417 . . . . 0.0 113.968 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.15 53.3 0.71 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.131 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . -148.78 148.93 29.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 122.067 0.147 . . . . 0.0 110.676 -178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 35.7 Cg_exo -61.11 142.94 98.56 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.825 2.35 . . . . 0.0 112.013 178.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -59.45 123.04 15.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.348 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 70.7 mmtt -92.03 178.62 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.867 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -102.14 123.01 45.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.5 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 36.5 t70 -129.52 124.93 35.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.974 0.416 . . . . 0.0 111.178 -175.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 29' ' ' ILE . 60.1 mt -96.76 111.71 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.5 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 37.8 ttp-105 -138.44 158.01 45.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.186 0.517 . . . . 0.0 111.853 -165.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.77 143.8 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.79 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.469 ' HZ2' HD11 ' A' ' 11' ' ' ILE . 94.8 m95 -107.98 129.36 55.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.186 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.38 140.71 52.48 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.22 -31.29 75.53 Favored 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.494 2.796 . . . . 0.0 114.655 -169.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -102.0 -88.55 0.38 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.982 0.42 . . . . 0.0 111.195 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -113.64 178.07 4.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 m -74.65 90.69 2.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.788 0.328 . . . . 0.0 110.952 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -80.2 -64.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.7 mtt -138.0 84.58 2.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.786 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.05 64.11 3.98 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -85.9 150.69 24.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.408 0.623 . . . . 0.0 111.483 -175.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.46 -144.57 5.9 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.799 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.704 HD13 HG22 ' B' ' 43' ' ' ILE . 19.7 tt -153.88 130.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.24 0.543 . . . . 0.0 111.167 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.0 m -93.75 143.72 26.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.731 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -127.82 148.75 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 m -81.3 162.91 23.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.33 -45.43 76.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 2.4 mp0 -57.67 -48.95 78.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.38 -42.58 92.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.575 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.504 ' O ' ' HG2' ' A' ' 67' ' ' MET . 26.0 t80 -63.9 -45.64 88.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.566 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -35.34 79.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.423 HG22 HD21 ' B' ' 16' ' ' LEU . 56.6 m -57.69 -52.21 66.39 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.341 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 17.9 ptt? -62.06 -39.96 94.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.602 0.239 . . . . 0.0 110.472 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.479 HG21 HD23 ' B' ' 75' ' ' LEU . 94.0 t -61.96 -47.89 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.879 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.88 -46.75 77.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.616 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -63.48 -41.86 98.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.434 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.492 ' HA ' ' HB3' ' A' ' 74' ' ' ASN . 19.6 m-85 -75.36 -27.7 59.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.164 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.754 ' HG3' ' HE2' ' B' ' 72' ' ' LYS . 80.2 tttt -56.49 -40.01 74.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.91 39.28 2.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.952 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.492 ' HB3' ' HA ' ' A' ' 71' ' ' PHE . 44.0 t30 -147.77 -75.34 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 111.56 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.521 ' HB3' HG11 ' B' ' 68' ' ' VAL . 22.3 tp -91.26 21.18 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.742 -169.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' HB3' ' HE3' ' B' ' 72' ' ' LYS . 3.8 pt-20 -81.7 -15.54 54.11 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 172.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -103.82 82.8 2.04 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.662 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -92.42 126.41 37.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 168.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -114.52 124.83 52.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.196 0.522 . . . . 0.0 111.23 -173.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -111.47 136.97 49.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.62 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -116.89 148.18 41.54 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.1 t60 . . . . . 0 C--O 1.243 0.76 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.748 178.48 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.591 0.234 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.651 ' HD3' ' H ' ' B' ' 2' ' ' LYS . 0.5 OUTLIER -116.42 -28.89 6.34 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.254 -178.257 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -168.39 154.0 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -134.26 166.89 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.633 0.254 . . . . 0.0 110.42 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.59 114.8 26.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.581 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 58.38 -101.76 0.13 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.277 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -173.23 176.48 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.657 ' HB ' ' HA ' ' B' ' 35' ' ' ASN . 27.9 m -113.91 139.04 49.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -157.7 136.61 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.901 0.382 . . . . 0.0 110.441 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -150.24 153.19 35.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.446 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.592 HD12 ' ND2' ' B' ' 30' ' ' ASN . 12.5 mm -93.76 102.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.415 ' OE1' ' HB2' ' B' ' 39' ' ' ALA . 11.0 pt-20 -83.34 -27.58 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -155.81 129.6 8.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.754 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -106.9 113.73 27.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.601 HD12 HG22 ' B' ' 29' ' ' ILE . 39.5 mt -57.37 -70.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 -167.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.616 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -158.07 146.17 18.69 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.154 0.502 . . . . 0.0 111.377 175.327 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 m -76.23 117.56 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.04 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.4 -58.94 3.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.774 0.321 . . . . 0.0 110.359 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.6 t -170.42 160.27 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -103.62 126.36 50.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.648 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.71 142.23 34.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.076 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.0 -19.63 32.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.913 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.12 -1.28 14.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.586 0.231 . . . . 0.0 111.359 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.32 26.81 27.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.568 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -115.5 158.64 22.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m -124.41 138.03 54.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.116 0.484 . . . . 0.0 111.053 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.5 ' HD2' HD11 ' A' ' 57' ' ' ILE . 35.8 ttpt -118.01 118.98 33.41 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 40.9 tt0 -140.0 152.6 46.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.714 -173.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.601 HG22 HD12 ' B' ' 15' ' ' LEU . 55.5 mt -101.92 123.16 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 173.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.592 ' ND2' HD12 ' B' ' 11' ' ' ILE . 24.5 p-10 -131.36 174.77 9.74 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.997 -174.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.65 ' HG2' ' HB1' ' B' ' 39' ' ' ALA . 32.7 ttp85 -125.33 114.19 18.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 20.4 t -106.61 133.75 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.623 -169.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -83.75 103.15 12.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -91.75 112.34 24.22 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.428 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.657 ' HA ' ' HB ' ' B' ' 8' ' ' THR . 94.1 m-20 66.59 -70.7 0.1 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.273 0.983 . . . . 0.0 111.636 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.84 -136.7 8.85 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.25 54.8 13.31 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -85.25 -26.15 1.5 Allowed 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.784 1.656 . . . . 0.0 111.372 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' B' ' 31' ' ' ARG . . . 51.12 85.54 0.04 OUTLIER 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.56 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.12 158.71 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.767 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.566 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 46.7 m-85 -90.57 135.29 33.8 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -135.57 129.43 32.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.704 HG22 HD13 ' A' ' 57' ' ' ILE . 45.5 mt -109.39 115.03 48.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -142.74 163.05 33.86 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.489 0.662 . . . . 0.0 112.245 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.12 113.97 27.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.545 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' TRP . . . . . 0.402 ' HE1' ' HB3' ' B' ' 28' ' ' GLU . 61.8 p-90 -118.13 163.1 17.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.063 0.459 . . . . 0.0 111.489 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' B' ' 50' ' ' HIS . 41.4 m -120.82 161.24 41.05 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -63.51 -77.57 0.01 OUTLIER 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.867 2.378 . . . . 0.0 112.831 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -23.59 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.137 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' B' ' 47' ' ' SER . 47.0 m170 -73.3 126.54 30.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.297 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 7.0 p -81.45 -42.94 19.6 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.818 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 pttp 43.07 -153.74 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.337 1.023 . . . . 0.0 111.722 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 16.4 ptp -112.37 134.04 54.13 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.46 113.13 4.63 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.499 -175.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' B' ' 55' ' ' LYS . 25.1 mmtm -106.63 150.54 26.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.252 0.548 . . . . 0.0 110.505 174.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLY . . . . . 0.469 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 168.77 -157.43 29.52 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -177.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 tt -158.84 135.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 117.542 0.671 . . . . 0.0 111.256 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 11.5 m -96.01 144.35 26.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.228 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -127.88 146.13 50.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.824 0.345 . . . . 0.0 110.477 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 6.3 m -85.27 173.87 10.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.398 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.566 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 5.2 p30 -54.06 -58.73 6.23 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.288 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.4 -42.72 96.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.336 . . . . 0.0 111.233 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.509 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 24.9 mt-10 -61.4 -48.27 81.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 -177.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.488 ' HD2' HD22 ' A' ' 75' ' ' LEU . 13.6 t80 -68.52 -38.72 81.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.414 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.37 -44.08 97.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.284 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.7 m -56.43 -44.95 80.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.473 ' HA ' HD13 ' A' ' 16' ' ' LEU . 57.1 ttp -59.22 -57.56 12.5 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.184 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.521 HG11 ' HB3' ' A' ' 75' ' ' LEU . 82.6 t -56.57 -54.39 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.652 -176.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' B' ' 72' ' ' LYS . 31.1 t70 -58.35 -49.26 77.84 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.862 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.607 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -63.92 -44.9 91.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.161 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -69.33 -42.49 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.754 ' HE2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.12 -26.48 68.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -175.743 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.43 8.49 64.38 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.576 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -126.04 -63.54 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.432 -0.452 . . . . 0.0 111.758 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.479 HD23 HG21 ' A' ' 68' ' ' VAL . 55.7 tp -93.03 87.71 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 111.079 -174.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.19 110.0 0.57 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -78.87 -8.35 58.75 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -168.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 43.1 m80 64.45 -77.87 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -122.92 50.23 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.0 110.454 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 71.37 -50.67 0.69 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.774 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -96.36 136.66 36.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 119.259 -0.4 . . . . 0.0 110.641 -179.657 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.821 -0.066 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt 57.69 41.93 24.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.16 0.505 . . . . 0.0 110.631 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -112.12 139.55 47.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.945 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.9 mtm -140.96 -63.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.131 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.15 -82.23 0.03 OUTLIER 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.9 0.75 . . . . 0.0 111.53 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -94.52 170.18 9.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.865 0.364 . . . . 0.0 110.391 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.77 98.45 11.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 m -71.59 118.37 14.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.05 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 33' ' ' SER . 39.5 p90 -107.2 136.06 47.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.418 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -128.18 126.8 41.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.888 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 32' ' ' VAL . 52.4 mt -81.97 95.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 -50.41 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.788 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -127.19 151.95 48.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -118.51 137.89 52.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 HG22 ' A' ' 29' ' ' ILE . 2.0 mm? -88.31 -70.11 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.837 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' B' ' 70' ' ' ALA . 1.6 pt? -169.36 167.73 9.93 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 m -99.9 130.25 46.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 171.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -53.71 5.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -160.06 153.38 22.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.147 0.499 . . . . 0.0 111.548 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.14 113.94 19.65 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -109.95 140.65 43.7 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 63.7 24.07 13.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 pttp 46.32 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.375 1.07 . . . . 0.0 112.562 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -47.5 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.009 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -77.36 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.017 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.459 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 24.5 m -105.91 138.12 42.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.314 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -123.18 117.51 25.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -144.82 169.96 17.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -173.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.743 HG22 HD23 ' A' ' 15' ' ' LEU . 52.9 mt -126.87 133.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.942 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -148.45 169.39 20.34 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.74 -174.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 70.7 mtp180 -108.11 116.0 31.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.645 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 11' ' ' ILE . 15.8 t -122.5 135.63 61.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -176.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.532 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 18.0 m -96.9 104.4 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.191 175.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -89.91 92.71 9.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.604 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 61.28 19.67 10.35 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -135.46 173.24 21.82 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.703 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -81.47 -52.41 0.8 Allowed Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 59.1 Cg_endo -72.2 117.13 4.99 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.335 2.023 . . . . 0.0 112.859 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.86 108.67 12.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.552 ' HD2' ' HA ' ' A' ' 60' ' ' SER . 30.6 mtmt -84.09 169.99 14.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -86.04 114.19 22.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.555 ' HB2' HG22 ' A' ' 58' ' ' THR . 8.5 t70 -109.59 123.77 50.0 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.54 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.719 HG22 HD13 ' B' ' 57' ' ' ILE . 35.1 mt -100.15 111.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -126.44 131.99 51.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.261 0.553 . . . . 0.0 111.964 -170.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.79 107.4 15.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.409 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.459 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 54.7 p-90 -108.78 145.18 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.284 0.564 . . . . 0.0 111.742 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 p -89.06 162.46 37.73 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.886 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.27 0.66 7.65 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.661 2.241 . . . . 0.0 112.091 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -136.76 145.29 44.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.586 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -75.14 142.43 43.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.081 0.467 . . . . 0.0 111.734 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.7 m 70.16 84.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.707 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -154.91 -176.05 5.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.481 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.7 mmt -77.98 71.86 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.146 0.498 . . . . 0.0 111.497 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.08 113.79 4.84 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.71 135.48 41.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -156.63 149.3 20.08 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.93 137.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.769 0.319 . . . . 0.0 110.699 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 42' ' ' ASP . 51.6 p -98.54 121.55 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 0.0 110.739 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.9 146.56 27.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.027 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.552 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 8.5 m -80.28 159.97 25.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.489 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -51.2 -53.04 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.998 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.94 -40.11 95.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.473 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.64 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 109.774 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.525 ' O ' ' HG2' ' A' ' 67' ' ' MET . 4.1 t80 -65.75 -46.02 80.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.618 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -60.81 -38.89 86.94 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -55.26 -48.59 73.77 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.253 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.9 ptt? -69.68 -33.36 72.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.923 -177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.589 HG21 HD23 ' B' ' 75' ' ' LEU . 54.5 t -58.77 -52.7 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.219 -177.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.41 -38.82 91.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.532 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.54 72.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -79.74 -13.59 59.34 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.327 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.648 ' HE3' ' HG2' ' B' ' 76' ' ' GLU . 36.0 tttm -79.25 -18.84 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.495 0.664 . . . . 0.0 109.825 174.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.34 18.56 8.81 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.472 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.533 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 10.2 t30 -155.14 161.91 41.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 74' ' ' ASN . 27.7 tp 76.76 -60.2 0.47 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.421 0.45 . . . . 0.0 110.832 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -67.37 101.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.252 177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -83.27 83.51 7.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.025 0.917 . . . . 0.0 109.057 174.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -77.14 70.12 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.796 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -122.96 3.48 9.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.827 172.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -83.39 142.29 31.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.369 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -101.71 119.96 39.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.917 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.476 -0.774 . . . . 0.0 110.042 -178.307 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -121.61 174.11 7.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.664 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.93 159.8 15.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.255 0.55 . . . . 0.0 111.937 -173.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.8 mmt -109.22 179.84 4.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.41 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.44 -61.07 1.58 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 0.0 110.082 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -111.66 -176.91 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.103 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -92.18 107.14 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -72.56 118.08 15.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.877 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -112.05 147.81 35.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -146.7 131.96 18.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.928 0.394 . . . . 0.0 111.107 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.564 HG13 HG22 ' B' ' 32' ' ' VAL . 4.0 mp -88.59 99.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -76.25 -59.13 2.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.078 -173.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.55 125.14 28.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -92.78 126.31 37.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' B' ' 41' ' ' PHE . 63.4 mt -70.04 -68.29 0.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.335 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' B' ' 28' ' ' GLU . 0.6 OUTLIER -155.52 152.37 28.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.193 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m -87.85 125.47 34.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.266 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.53 -55.46 5.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.922 0.391 . . . . 0.0 110.482 -177.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -169.13 179.79 3.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.528 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.26 109.44 11.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.508 ' N ' HD22 ' B' ' 21' ' ' ASN . 0.8 OUTLIER -95.99 135.6 37.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.427 -168.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 63.23 13.03 6.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.88 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? 56.23 71.56 0.55 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.229 0.537 . . . . 0.0 110.709 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.1 -34.86 0.49 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.08 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -107.56 103.21 12.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.146 0.498 . . . . 0.0 110.324 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 14.8 m -86.95 138.69 31.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -175.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.589 ' HD3' ' HB2' ' B' ' 45' ' ' ALA . 0.9 OUTLIER -106.05 115.64 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 44.0 tt0 -145.38 153.71 41.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.133 0.492 . . . . 0.0 111.698 -175.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.451 HG12 HG23 ' B' ' 43' ' ' ILE . 53.1 mt -108.74 114.8 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -136.93 156.6 48.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 0.0 111.004 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 20.4 mtm180 -90.75 126.44 36.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.788 0.328 . . . . 0.0 111.014 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.564 HG22 HG13 ' B' ' 11' ' ' ILE . 39.6 t -121.45 133.05 69.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.496 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -109.99 148.16 32.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.5 111.69 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.262 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 p30 49.1 24.2 0.88 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.566 1.147 . . . . 0.0 112.551 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.59 -161.08 20.11 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . 66.83 161.94 0.13 Allowed Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 122.944 0.497 . . . . 0.0 111.5 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.89 127.78 22.42 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.354 2.036 . . . . 0.0 111.786 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 125.27 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.014 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 90.4 mttt -87.61 165.87 15.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.407 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.405 ' HD1' HD11 ' B' ' 15' ' ' LEU . 28.8 m-85 -85.59 114.56 22.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' B' ' 58' ' ' THR . 36.0 t70 -111.26 116.88 31.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.084 0.468 . . . . 0.0 110.831 -176.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.451 HG23 HG12 ' B' ' 29' ' ' ILE . 51.2 mt -91.12 105.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -146.26 149.03 33.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.546 0.689 . . . . 0.0 112.435 -168.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' B' ' 27' ' ' LYS . . . -98.98 124.95 44.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.509 173.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' TRP . . . . . 0.419 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 32.4 p-90 -108.56 146.11 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 110.9 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 27.7 t -130.22 159.48 70.19 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.986 -170.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.81 119.32 6.43 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.045 1.83 . . . . 0.0 109.621 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -66.19 127.43 32.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.859 0.837 . . . . 0.0 111.852 -168.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.552 ' HB3' ' HE2' ' B' ' 52' ' ' LYS . 5.6 t60 -155.33 65.13 0.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 173.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.8 p 48.46 45.5 20.81 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.456 -172.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' B' ' 50' ' ' HIS . 68.3 mttm -113.32 145.06 41.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.945 -176.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 47.0 tpp -109.29 114.58 28.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.93 154.76 34.19 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.938 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -92.54 147.08 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.843 0.354 . . . . 0.0 110.757 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.35 168.64 38.02 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.827 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 43' ' ' ILE . 17.9 tt -143.9 136.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.094 0.474 . . . . 0.0 110.806 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 42' ' ' ASP . 4.9 m -96.97 139.93 32.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -124.42 138.67 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.6 m -82.94 170.6 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -55.58 -46.52 77.24 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.8 -55.75 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.706 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' B' ' 63' ' ' GLU . 21.1 mt-10 -58.76 -39.46 81.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.758 -175.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.558 ' O ' HG23 ' B' ' 68' ' ' VAL . 14.8 t80 -64.4 -53.09 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.195 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -59.65 -30.28 68.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.306 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.9 m -59.93 -51.04 71.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.682 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.617 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 13.3 ptt? -66.73 -36.37 82.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.947 0.404 . . . . 0.0 110.116 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 64' ' ' PHE . 76.6 t -61.36 -40.31 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.139 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.05 -49.49 65.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.964 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 16' ' ' LEU . . . -61.81 -52.48 64.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.186 -174.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 27.6 m-85 -68.48 -31.47 70.77 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.622 -177.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.583 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 80.9 tttt -54.49 -43.04 71.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.184 0.516 . . . . 0.0 110.673 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.36 26.12 25.59 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -136.01 -62.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.791 0.296 . . . . 0.0 111.427 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 68' ' ' VAL . 14.7 tp -87.73 -0.19 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.003 0.43 . . . . 0.0 111.121 -171.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.648 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 8.2 tp10 -74.46 112.05 10.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 170.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -153.62 80.56 1.16 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.034 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -58.88 109.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.412 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -81.88 -38.71 24.97 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -129.59 141.58 50.93 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.887 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -69.51 -15.62 63.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.123 0.487 . . . . 0.0 110.898 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.925 176.936 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 121.005 0.431 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -137.51 14.16 2.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.953 172.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.759 ' HE2' ' HA ' ' A' ' 3' ' ' LYS . 7.8 mmpt? -110.46 -172.42 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.499 173.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 4' ' ' MET . 3.6 mpp? -62.25 -53.31 57.02 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.363 0.415 . . . . 0.0 111.541 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.68 -77.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.829 0.706 . . . . 0.0 111.092 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 56.86 89.36 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.624 0.577 . . . . 0.0 111.809 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.513 ' HD2' HD21 ' A' ' 35' ' ' ASN . 69.6 m-85 -132.12 -75.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -114.23 153.79 29.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.039 0.447 . . . . 0.0 111.436 -172.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 33' ' ' SER . 38.0 p90 -145.0 139.37 27.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.646 178.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -137.22 152.74 50.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.64 0.257 . . . . 0.0 110.649 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.31 117.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.597 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 19.4 mm-40 -86.33 -44.32 12.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.355 0.598 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -154.36 145.07 22.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.596 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -103.29 123.22 46.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.527 HD12 HG22 ' A' ' 29' ' ' ILE . 82.1 mt -77.07 -66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.496 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' B' ' 67' ' ' MET . 0.5 OUTLIER -160.85 141.19 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.508 . . . . 0.0 110.503 176.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.628 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 15.4 m -88.97 125.95 35.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.66 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.549 HD12 ' HD2' ' A' ' 27' ' ' LYS . 62.8 mt -79.53 -66.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.755 0.312 . . . . 0.0 110.673 -176.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.454 ' HG ' ' HG2' ' B' ' 63' ' ' GLU . 6.6 m -140.8 150.78 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.943 0.401 . . . . 0.0 110.97 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.37 112.0 24.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.179 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -76.07 127.82 33.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.91 -14.17 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 111.278 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -70.06 -13.2 62.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 47' ' ' SER . . . 106.92 32.22 3.62 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.832 176.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.41 ' HD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 m0 -135.73 117.5 15.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.668 0.271 . . . . 0.0 110.787 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -94.49 138.31 32.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.588 0.232 . . . . 0.0 110.521 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HD2' HD12 ' A' ' 18' ' ' LEU . 3.9 tmmm? -113.61 115.55 28.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.628 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 19.6 pt-20 -143.18 176.07 9.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.556 HG12 HG23 ' A' ' 43' ' ' ILE . 38.2 mt -119.4 118.48 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.43 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.47 164.51 22.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.023 0.439 . . . . 0.0 111.276 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 74.4 mtp180 -98.25 118.11 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 46.8 t -115.77 133.63 61.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 7.1 p -94.15 114.21 26.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.26 117.56 31.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.083 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.513 HD21 ' HD2' ' A' ' 7' ' ' PHE . 10.1 m120 61.78 25.65 15.46 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.89 -123.06 1.19 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.896 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.639 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -130.55 46.13 2.09 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 177.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 34.4 Cg_endo -98.87 86.85 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.468 2.112 . . . . 0.0 110.885 169.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.597 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -71.98 94.08 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.668 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 94.6 mttt -92.75 179.54 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.019 177.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -109.35 115.48 30.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 58' ' ' THR . 18.2 t70 -116.61 128.85 55.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 -176.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.682 HG22 HD13 ' B' ' 57' ' ' ILE . 24.8 mt -105.67 111.31 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.534 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 11.2 ttm180 -147.69 155.08 41.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.106 0.479 . . . . 0.0 111.908 -170.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -106.39 120.94 43.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.909 172.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.499 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 5.8 p-90 -157.59 156.36 31.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.64 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.833 ' HB2' ' HD3' ' A' ' 48' ' ' PRO . 70.5 m -161.61 -62.22 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.515 0 O-C-N 123.419 0.449 . . . . 0.0 111.156 171.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.833 ' HD3' ' HB2' ' A' ' 47' ' ' SER . 4.9 Cg_exo -75.22 -178.34 4.14 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.402 2.068 . . . . 0.0 112.634 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.1 -49.36 6.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.462 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -74.3 119.04 17.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -169.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.5 p 49.34 97.53 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 170.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HE3' ' HB2' ' A' ' 46' ' ' TRP . 37.4 mtmm -127.18 117.2 21.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.158 0.504 . . . . 0.0 111.585 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 59.6 mtm -152.7 128.62 10.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.595 -1.184 . . . . 0.0 108.471 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.66 80.57 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.56 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.901 ' HG3' ' HA ' ' B' ' 57' ' ' ILE . 1.0 OUTLIER 69.84 96.85 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.625 0.726 . . . . 0.0 111.969 177.76 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.534 ' HA3' ' HG3' ' A' ' 44' ' ' ARG . . . -166.91 118.71 0.81 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.8 tt -145.14 143.81 21.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.164 0.507 . . . . 0.0 111.399 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 3.0 m -92.79 142.75 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.139 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.0 mt -116.0 140.91 48.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -79.71 163.09 24.79 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -57.09 -46.2 82.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.23 -45.96 89.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.639 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.29 -39.47 94.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 110.287 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.626 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.1 t80 -64.08 -51.92 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.456 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.22 -35.08 71.15 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 111.261 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -59.24 -50.52 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -70.57 -24.62 62.8 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 -178.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 64' ' ' PHE . 75.8 t -57.65 -57.09 11.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.912 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 20.2 t70 -61.91 -46.18 90.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.993 0.425 . . . . 0.0 111.018 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' B' ' 16' ' ' LEU . . . -53.76 -56.15 20.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.157 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.574 ' HB2' ' HE3' ' B' ' 72' ' ' LYS . 50.7 m-85 -83.62 -1.25 53.49 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.959 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.912 ' HE2' ' HA ' ' A' ' 69' ' ' ASP . 22.4 ttpt -77.19 -24.52 51.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.55 19.56 26.17 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.911 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 43.1 t-20 -148.53 122.5 9.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.588 HD23 HG21 ' B' ' 68' ' ' VAL . 59.6 tp 74.37 -67.97 0.23 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.701 0.626 . . . . 0.0 111.015 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 61.58 -87.31 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 111.921 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 176.03 -54.08 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -104.03 -61.58 1.42 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.187 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 t60 44.16 -94.86 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.025 0.53 . . . . 0.0 110.192 -172.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -142.91 86.6 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 170.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -80.37 158.76 25.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.727 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.686 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtm . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.929 0.395 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -79.35 -75.59 0.24 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.175 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -154.93 -169.61 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.94 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 70.0 mtm -96.17 -167.06 1.52 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.54 87.54 0.12 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.691 0.619 . . . . 0.0 109.719 -170.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.73 -40.67 97.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.03 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' B' ' 35' ' ' ASN . 45.0 t80 55.46 85.29 0.07 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 122.229 1.014 . . . . 0.0 111.064 -177.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -124.43 162.04 24.74 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.591 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -108.34 129.94 55.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.158 0.504 . . . . 0.0 110.514 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' B' ' 33' ' ' SER . 6.8 mm-40 -112.93 122.51 47.84 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.4 mm -90.58 90.36 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.43 -35.87 22.75 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.274 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -158.75 142.59 15.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.065 0.46 . . . . 0.0 111.333 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.485 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.3 OUTLIER -106.68 142.89 35.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.506 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.627 HD23 HG22 ' B' ' 29' ' ' ILE . 2.4 mm? -72.4 -54.08 10.4 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 1.6 pt? -164.5 159.17 19.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.902 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.587 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 32.0 m -99.98 121.67 41.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.46 175.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.04 -63.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 p 178.87 167.77 0.92 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.734 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 14.0 pt-20 -110.9 138.94 46.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -110.82 148.93 31.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.669 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 64.93 9.05 5.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.739 0.65 . . . . 0.0 111.529 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' B' ' 23' ' ' LYS . 19.8 tptm 55.35 95.8 0.02 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 110.538 -173.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.8 -48.25 0.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.059 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -81.84 88.04 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.163 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 22.0 m -86.73 137.97 32.01 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.979 -178.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HB3' ' HE2' ' B' ' 27' ' ' LYS . 35.8 ttpt -127.67 127.91 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.587 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 17.2 pt-20 -156.69 -176.91 6.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 110.966 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.653 HG12 HG12 ' B' ' 43' ' ' ILE . 53.4 mt -120.09 130.27 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.433 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.1 OUTLIER -141.6 176.22 9.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.513 0.197 . . . . 0.0 111.084 -175.345 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.425 ' HB3' ' CB ' ' B' ' 39' ' ' ALA . 46.6 mtm105 -111.49 117.85 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.263 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 t -107.45 121.89 60.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.613 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.523 ' HB2' ' HB2' ' B' ' 10' ' ' GLU . 0.8 OUTLIER -84.2 110.03 18.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -93.33 137.32 32.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.882 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' B' ' 7' ' ' PHE . 26.3 t-20 72.32 -68.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.878 0.736 . . . . 0.0 111.233 176.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.12 48.28 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . -140.75 172.97 5.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -174.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 2.1 Cg_endo -43.22 143.34 2.18 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 123.2 2.6 . . . . 0.0 112.553 173.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -77.06 140.83 40.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.803 -173.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -101.13 154.94 18.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.135 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -74.91 125.47 28.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -131.57 133.11 44.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.91 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.653 HG12 HG12 ' B' ' 29' ' ' ILE . 56.2 mt -108.55 114.82 47.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -144.24 169.36 18.04 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.882 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.59 150.04 31.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.746 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -107.32 125.17 50.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -87.43 141.49 32.45 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.855 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -58.33 117.16 3.83 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.828 2.352 . . . . 0.0 110.921 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 62.86 -88.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.703 0.627 . . . . 0.0 109.312 -171.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.513 ' HB3' ' H ' ' B' ' 51' ' ' THR . 0.0 OUTLIER 177.26 -132.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.322 0.649 . . . . 0.0 109.467 171.549 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.513 ' H ' ' HB3' ' B' ' 50' ' ' HIS . 43.2 p 50.74 25.95 2.33 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.321 0.581 . . . . 0.0 111.842 -175.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 50' ' ' HIS . 48.3 mmtm -127.98 -175.02 3.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.036 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 58.2 mtt -87.72 -75.55 0.41 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.396 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.35 -98.81 2.31 Favored Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 65.15 -169.07 0.2 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.339 0.59 . . . . 0.0 112.417 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.61 -146.88 12.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.901 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 18.7 tt -143.1 138.66 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.15 0.5 . . . . 0.0 111.244 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.71 140.63 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.305 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.0 mt -123.76 138.11 54.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.292 0.568 . . . . 0.0 110.407 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.746 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 20.3 m -83.54 171.46 13.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.101 175.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.98 -55.66 32.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.6 0.238 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.35 -35.06 79.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.95 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.746 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 30.3 mt-10 -62.79 -50.3 71.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.195 0.521 . . . . 0.0 109.962 177.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.535 ' O ' HG23 ' B' ' 68' ' ' VAL . 31.9 t80 -59.8 -46.82 88.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -53.27 -46.22 69.16 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 69.1 m -56.88 -48.13 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -70.81 -34.72 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.553 -175.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.779 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 69.0 t -59.1 -64.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.264 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.84 -37.09 80.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 0.0 111.17 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.48 57.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.471 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.779 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 34.0 mmtt -69.66 -25.46 63.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.87 30.7 8.43 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.745 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -150.89 -59.82 0.18 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.84 0.32 . . . . 0.0 111.117 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 68' ' ' VAL . 29.6 tp -78.17 -19.25 54.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.369 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -86.76 99.13 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -130.38 -4.16 4.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.67 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 m80 62.17 -84.13 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.17 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -152.15 -62.19 0.17 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -145.49 -164.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -73.24 -80.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 111.159 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.075 -178.223 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -92.06 99.82 12.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.607 0.717 . . . . 0.0 109.999 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -135.44 -49.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.159 -174.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ttt -82.34 -50.02 9.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.104 -171.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.64 24.12 12.92 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.095 0.474 . . . . 0.0 110.245 -174.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.77 -78.54 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.226 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -90.85 106.34 18.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.378 0.608 . . . . 0.0 111.318 -174.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -98.44 148.8 23.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -152.76 134.29 14.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.0 0.429 . . . . 0.0 111.026 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -140.23 153.43 46.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.994 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.559 HG12 HG22 ' A' ' 32' ' ' VAL . 51.8 mt -92.98 115.94 32.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -91.42 -23.5 20.01 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.654 -175.714 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -157.34 141.93 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 111.113 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -101.22 116.39 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 29' ' ' ILE . 92.4 mt -65.66 -58.98 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -176.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.8 153.92 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 m -102.14 123.29 45.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.97 -57.3 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.035 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 p -167.79 -179.49 4.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.29 0.567 . . . . 0.0 112.164 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -122.48 116.01 23.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.558 173.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -106.64 152.32 23.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.414 0.626 . . . . 0.0 112.495 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 61.43 -89.29 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.317 168.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -131.31 26.8 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 111.417 -173.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.64 3.76 23.55 Favored Glycine 0 CA--C 1.506 -0.494 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.743 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.412 ' HZ2' ' HD3' ' A' ' 52' ' ' LYS . 31.1 m95 -64.48 104.61 0.81 Allowed 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 1.6 p -85.68 136.4 33.38 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.421 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 32.8 ttpt -120.0 116.13 25.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.962 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -141.83 175.89 9.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.06 0.457 . . . . 0.0 111.147 -173.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.554 HG22 HD12 ' A' ' 15' ' ' LEU . 54.5 mt -125.19 114.9 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.909 176.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -131.68 168.0 18.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.584 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 17.3 mtm180 -108.72 124.44 50.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.559 HG22 HG12 ' A' ' 11' ' ' ILE . 50.4 t -109.34 120.78 61.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -176.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 8.1 p -82.55 109.28 16.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.93 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.58 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 94.3 m-85 -87.77 124.24 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.843 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 p30 48.52 22.64 0.51 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.417 1.087 . . . . 0.0 113.169 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.54 -93.75 0.54 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.515 173.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.576 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -65.72 -55.75 21.69 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 34' ' ' PHE . 16.0 Cg_exo -67.54 95.15 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.483 2.122 . . . . 0.0 113.287 -173.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -97.58 98.83 10.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -99.71 174.5 6.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -88.38 136.76 32.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 44' ' ' ARG . 7.5 t70 -138.46 121.39 16.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.668 -176.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.482 HG12 HG12 ' A' ' 29' ' ' ILE . 56.3 mt -103.77 120.68 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.415 ' HB2' ' OD1' ' A' ' 42' ' ' ASP . 32.7 ttm180 -140.64 135.91 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -112.83 106.92 15.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.131 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -114.41 147.12 39.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.167 0.508 . . . . 0.0 112.168 -172.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 t -64.49 138.87 97.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.729 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.25 87.77 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.388 2.725 . . . . 0.0 113.578 -173.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t70 55.74 34.3 23.1 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.491 173.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -149.17 129.19 13.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.4 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -56.44 121.5 9.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.683 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HD3' ' HZ2' ' A' ' 25' ' ' TRP . 4.2 mttp -158.64 -80.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.275 174.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.9 mtt -147.99 162.39 39.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.086 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -140.34 73.21 0.4 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -67.25 116.64 8.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.929 0.395 . . . . 0.0 110.671 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.77 -175.2 33.56 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.437 HD13 HG22 ' B' ' 43' ' ' ILE . 20.9 tt -149.54 139.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -85.77 129.72 34.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.137 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.18 168.14 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.19 0.519 . . . . 0.0 111.313 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.0 m -127.18 178.33 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.197 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.25 -42.2 99.15 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 111.355 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.02 -49.93 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.5 0.667 . . . . 0.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -61.16 -45.1 96.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.031 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.684 ' HA ' ' HE2' ' A' ' 67' ' ' MET . 0.2 OUTLIER -58.86 -49.7 76.75 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.007 -179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -58.79 -42.49 89.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.31 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -57.7 -47.05 83.45 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.448 0.468 . . . . 0.0 110.634 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.684 ' HE2' ' HA ' ' A' ' 64' ' ' PHE . 39.7 mtm -58.5 -36.97 74.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.015 0.436 . . . . 0.0 110.652 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 64' ' ' PHE . 59.3 t -61.57 -56.52 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.483 -176.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.38 -43.42 66.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.089 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -63.06 -49.56 74.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.595 -176.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -74.77 -15.28 60.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 111.032 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.623 ' HB2' ' O ' ' A' ' 68' ' ' VAL . 81.1 tttt -67.42 -33.17 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.88 -16.61 18.85 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.197 -178.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -93.65 -53.31 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.139 0.469 . . . . 0.0 111.521 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.675 HD23 HG21 ' B' ' 68' ' ' VAL . 21.2 tp -95.67 126.9 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 0.0 111.325 -172.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HB2' ' OE1' ' B' ' 65' ' ' GLN . 4.3 tp10 71.2 -6.49 1.32 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.613 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -83.69 57.27 4.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 122.114 0.959 . . . . 0.0 108.501 172.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -156.12 142.42 18.38 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -61.09 102.59 0.22 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -65.87 -14.71 61.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.472 -173.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 73.92 -5.59 2.0 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.629 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 . . . . . 0 C--O 1.248 1.015 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.764 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.815 0.341 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -127.87 123.81 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.17 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 67.82 19.92 9.47 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 123.723 0.639 . . . . 0.0 111.799 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.1 ttt 57.94 98.07 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 O-C-N 123.759 0.662 . . . . 0.0 111.76 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.12 -18.84 38.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.976 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 61.81 86.94 0.1 Allowed 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.721 0.638 . . . . 0.0 110.597 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 67.12 97.94 0.05 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.675 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -98.74 119.44 37.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.606 174.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' B' ' 33' ' ' SER . 22.4 p90 -109.64 126.86 54.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.42 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -151.51 153.14 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.88 128.05 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.881 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -105.57 -34.51 7.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.761 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -153.07 139.03 18.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.665 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -112.36 133.86 54.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.531 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.24 -53.95 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.623 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -131.27 99.12 4.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.752 -170.428 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -81.36 97.57 7.77 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.578 HD23 HD12 ' B' ' 16' ' ' LEU . 90.4 mt -67.32 -68.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.076 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p 174.86 -174.95 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.81 0.693 . . . . 0.0 109.211 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 11.8 pt-20 -108.66 139.56 43.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.589 HD22 ' HG3' ' B' ' 22' ' ' GLU . 2.6 p-10 -116.15 156.46 26.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.151 0.5 . . . . 0.0 111.066 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.589 ' HG3' HD22 ' B' ' 21' ' ' ASN . 30.3 mt-10 59.01 20.09 7.88 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.558 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 62.16 98.83 0.03 OUTLIER 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.943 0.777 . . . . 0.0 111.451 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 -44.26 1.51 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.199 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -84.0 103.55 13.33 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.443 0.621 . . . . 0.0 110.412 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 4.8 m -86.54 138.29 31.84 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.039 -174.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.571 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 6.1 ttpm? -128.65 120.67 26.98 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.484 -173.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -142.97 158.42 43.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.8 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.64 HG12 HG12 ' B' ' 43' ' ' ILE . 43.9 mt -104.99 109.97 29.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -131.47 -176.9 4.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 74.6 mtp180 -110.94 116.1 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.53 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -104.94 123.1 58.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 49.7 m -84.81 131.78 34.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.152 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.44 101.04 10.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.173 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 70.23 -73.6 0.09 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.254 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.18 -82.95 1.58 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.576 -170.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 1.036 ' H ' ' HD2' ' B' ' 38' ' ' PRO . . . -132.44 -46.48 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -172.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 1.036 ' HD2' ' H ' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -48.97 112.23 0.61 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 123.083 2.522 . . . . 0.0 113.784 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -106.46 98.52 8.18 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.693 174.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 15.7 tptt -86.26 166.27 15.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.746 -173.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -90.37 129.94 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.515 ' CG ' ' HE ' ' B' ' 44' ' ' ARG . 7.9 t0 -142.37 139.77 31.83 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.461 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.64 HG12 HG12 ' B' ' 29' ' ' ILE . 41.9 mt -95.84 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.515 ' HE ' ' CG ' ' B' ' 42' ' ' ASP . 7.6 mmt180 -113.61 139.68 48.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.186 0.517 . . . . 0.0 112.297 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.414 ' O ' ' HA3' ' B' ' 54' ' ' GLY . . . -111.47 107.46 16.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.828 170.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -107.96 151.29 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.406 0.622 . . . . 0.0 111.433 -174.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p -82.4 151.94 66.49 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.211 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.23 -29.72 25.92 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.502 2.135 . . . . 0.0 111.386 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -81.06 -20.34 41.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.38 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 73.73 -13.93 0.7 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.934 0.893 . . . . 0.0 111.989 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 21.4 p -86.02 -28.13 24.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.518 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -75.72 131.14 39.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 65.3 mtt -75.14 131.98 40.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.847 0.356 . . . . 0.0 110.384 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' B' ' 45' ' ' ALA . . . -106.33 158.17 15.57 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.905 -0.665 . . . . 0.0 111.919 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -94.23 164.41 13.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.753 0.311 . . . . 0.0 110.671 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLY . . . . . 0.403 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -167.91 -179.2 40.37 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.461 HD13 HG22 ' A' ' 43' ' ' ILE . 15.4 tt -147.7 127.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 0.0 110.699 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.0 m -86.86 135.81 33.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.568 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 81.2 mt -127.72 140.57 51.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -91.16 162.21 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -56.86 -38.28 72.5 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.36 -50.65 72.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.23 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -67.37 -35.14 78.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.966 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 75' ' ' LEU . 2.5 t80 -59.38 -50.55 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.408 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLN . . . . . 0.467 ' NE2' ' HB ' ' B' ' 68' ' ' VAL . 23.8 tp60 -65.82 -30.83 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.775 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.6 m -55.0 -47.87 74.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.643 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 20.7 ptt? -71.94 -37.73 69.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.843 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.678 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 95.5 t -58.67 -57.99 8.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.764 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.59 -46.84 83.53 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 120.744 0.307 . . . . 0.0 111.618 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -41.42 86.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 0.0 111.403 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 68' ' ' VAL . 20.7 m-30 -76.2 -15.05 60.12 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 28.1 mmtm -71.44 -32.43 68.33 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 171.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.21 -41.3 6.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.111 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' B' ' 78' ' ' HIS . 23.4 t-20 -75.35 -61.27 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.817 0.309 . . . . 0.0 111.507 -176.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.502 ' HB2' HG21 ' A' ' 68' ' ' VAL . 5.6 mp -88.69 162.72 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 69.16 -67.45 0.22 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.928 0.768 . . . . 0.0 110.044 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -51.38 -28.51 12.78 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.737 0.815 . . . . 0.0 111.611 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' B' ' 74' ' ' ASN . 36.0 t-80 -73.66 -30.68 63.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -175.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -136.02 -2.68 2.3 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -170.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -63.99 -42.39 97.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.336 -0.228 . . . . 0.0 111.508 -173.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 59.29 -97.09 0.07 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.471 0.482 . . . . 0.0 111.405 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.839 -0.601 . . . . 0.0 109.717 -178.356 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HG2' ' H ' ' A' ' 4' ' ' MET . 87.8 tttt -157.66 119.35 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.208 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -89.85 35.57 0.84 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.093 0.473 . . . . 0.0 110.05 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.443 ' H ' ' HG2' ' A' ' 2' ' ' LYS . 63.3 mtt 62.5 -167.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.597 -176.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.1 -166.02 2.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 67.53 13.29 9.25 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.583 0.552 . . . . 0.0 111.349 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 69.95 131.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.535 0.734 . . . . 0.0 112.095 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 35' ' ' ASN . 19.1 p -101.15 123.82 45.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.454 173.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -109.1 120.29 42.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.468 0.652 . . . . 0.0 111.042 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.724 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 2.8 mp0 -105.14 111.58 24.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.16 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -88.62 103.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -99.46 -32.64 11.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.271 -169.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 10.7 tp10 -143.82 141.14 30.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.625 0.25 . . . . 0.0 111.095 -172.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -107.26 99.04 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.65 -66.88 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 111.743 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.9 OUTLIER -134.38 114.63 13.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -171.626 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.6 m -87.24 107.12 18.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 16' ' ' LEU . 91.7 mt -71.43 -74.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.631 -177.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -165.66 162.5 18.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.912 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -105.57 141.78 36.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.227 0.536 . . . . 0.0 109.967 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -105.97 131.24 53.51 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.021 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 60.88 21.0 11.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.235 174.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.42 95.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.502 0.501 . . . . 0.0 111.222 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.47 -43.36 1.34 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.034 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.48 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 61.2 m95 -84.37 91.82 7.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.084 0.442 . . . . 0.0 110.056 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.499 ' HB ' ' HD1' ' A' ' 46' ' ' TRP . 17.1 m -85.89 137.19 32.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.385 -172.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -121.78 116.03 23.74 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.164 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.14 163.9 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.391 0.615 . . . . 0.0 111.435 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.574 HG12 HG12 ' A' ' 43' ' ' ILE . 58.3 mt -107.08 117.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.211 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -133.11 179.73 6.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 22.1 mtp85 -113.99 119.49 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 -177.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.79 131.4 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.963 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 23.3 t -95.84 146.93 24.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -123.21 112.27 17.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.791 0.329 . . . . 0.0 110.713 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.433 ' HA ' ' OG1' ' A' ' 8' ' ' THR . 84.0 m-20 64.53 22.96 12.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.514 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.8 81.15 0.77 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.198 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -152.84 175.08 3.16 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.2 Cg_exo -50.22 126.36 17.17 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.87 1.713 . . . . 0.0 111.199 171.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 112.41 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.038 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -82.71 172.0 13.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.656 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 30.2 m-85 -101.98 114.86 29.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.137 -173.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -117.3 133.87 55.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.096 0.474 . . . . 0.0 110.605 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.574 HG12 HG12 ' A' ' 29' ' ' ILE . 39.4 mt -113.65 104.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.545 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.595 ' HB3' ' HA3' ' A' ' 56' ' ' GLY . 18.7 ptp180 -141.9 176.6 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 112.005 -175.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.19 152.88 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.499 ' HD1' ' HB ' ' A' ' 26' ' ' THR . 66.7 m95 -108.13 130.96 55.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 m -87.38 129.24 52.1 Favored Pre-proline 0 C--O 1.234 0.25 0 O-C-N 123.665 0.603 . . . . 0.0 110.515 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.47 -63.48 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.463 2.109 . . . . 0.0 112.428 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -105.37 101.84 11.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.037 0.446 . . . . 0.0 110.893 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 67.8 117.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.689 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.6 m -61.08 102.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.568 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.38 -48.89 9.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.044 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.8 ttt -163.36 115.29 1.47 Allowed 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.219 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.93 74.49 2.5 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.593 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -83.37 134.98 34.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.365 0.603 . . . . 0.0 111.484 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.595 ' HA3' ' HB3' ' A' ' 44' ' ' ARG . . . -179.06 153.53 12.57 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.593 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 13.9 tt -120.47 132.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.219 0.533 . . . . 0.0 111.118 -174.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -95.76 130.29 42.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.435 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.26 147.56 41.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.0 p -82.71 173.68 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.189 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 7.9 t30 -60.11 -43.48 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -56.49 -53.92 51.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.623 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.89 -44.54 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' A' ' 67' ' ' MET . 18.0 t80 -64.76 -48.34 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.265 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -65.33 -37.69 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -54.26 -53.21 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.436 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 20.6 ptt? -64.28 -37.47 87.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.657 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.65 HG21 HD23 ' B' ' 75' ' ' LEU . 56.0 t -58.83 -50.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.044 -178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 12.7 t70 -74.98 -40.81 60.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.043 0.449 . . . . 0.0 110.972 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB1' HD22 ' B' ' 16' ' ' LEU . . . -61.87 -44.46 96.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.277 -178.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' B' ' 29' ' ' ILE . 52.6 m-85 -78.16 -32.31 50.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.701 ' HB2' ' HG3' ' B' ' 72' ' ' LYS . 0.0 OUTLIER -65.89 -24.78 66.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.345 179.607 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.68 11.49 72.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.971 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -140.06 -50.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.528 0.664 . . . . 0.0 111.516 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 35.7 tp -120.11 21.18 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.591 0.234 . . . . 0.0 111.585 -171.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.706 ' HB2' ' HE2' ' B' ' 72' ' ' LYS . 12.7 pt-20 -60.95 -43.26 98.95 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.017 -0.427 . . . . 0.0 110.765 -178.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 71.8 t60 -177.06 54.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -63.96 129.88 41.81 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -132.83 -69.64 0.56 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.606 0.241 . . . . 0.0 111.518 -173.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -128.24 126.24 40.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -131.23 132.04 44.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.716 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.3 p80 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.465 178.185 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 3' ' ' LYS . 24.3 ttmm 66.13 -86.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.792 0.682 . . . . 0.0 110.583 -175.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' B' ' 2' ' ' LYS . 42.2 tttp 169.26 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.082 0.553 . . . . 0.0 110.066 -178.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.6 mmm -76.66 134.78 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.166 -176.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.47 73.8 0.98 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.047 173.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 61.26 -168.49 0.18 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.253 -171.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.482 ' HA ' ' OD1' ' B' ' 35' ' ' ASN . 93.2 m-85 -99.13 111.41 23.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.167 0.508 . . . . 0.0 110.574 173.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p -108.18 126.28 52.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.46 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.504 ' HA ' ' O ' ' B' ' 33' ' ' SER . 32.9 p90 -106.82 123.43 48.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -117.37 145.86 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.734 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.0 mt -88.8 99.11 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -86.25 -32.22 21.25 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.27 137.6 16.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.153 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -105.45 108.23 19.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.484 HD12 HG22 ' B' ' 29' ' ' ILE . 94.5 mt -72.94 -71.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.398 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.414 HD22 ' HB1' ' A' ' 70' ' ' ALA . 2.7 pp -165.33 150.03 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.695 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.63 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 56.1 m -91.28 134.66 34.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.44 -53.33 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -170.45 157.99 6.24 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.473 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 3.3 tm-20 -127.05 103.29 7.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 171.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -116.8 176.74 4.98 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.355 0.597 . . . . 0.0 112.427 -171.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 70.69 -80.22 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.397 175.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -158.06 22.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.76 -0.08 5.75 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.961 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -75.06 96.81 3.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.872 0.844 . . . . 0.0 109.708 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' B' ' 45' ' ' ALA . 5.4 m -92.81 138.81 31.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.908 -172.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.43 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -119.33 120.77 37.91 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 174.46 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.63 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 11.5 pt-20 -155.56 171.42 19.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 111.162 178.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.747 HG12 HG12 ' B' ' 43' ' ' ILE . 47.5 mt -113.56 132.83 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.537 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -141.75 175.16 9.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -174.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.0 mtp85 -111.6 105.73 14.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.701 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.97 126.54 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.504 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 63.0 p -97.36 147.38 24.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.457 ' H ' ' HB3' ' B' ' 37' ' ' ALA . 95.8 m-85 -115.99 108.05 15.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.797 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.482 ' OD1' ' HA ' ' B' ' 7' ' ' PHE . 4.2 m-20 62.86 -80.59 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.084 0.865 . . . . 0.0 111.839 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.84 17.07 3.94 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.897 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' H ' ' B' ' 34' ' ' PHE . . . -71.08 154.23 94.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 C-N-CA 121.986 0.114 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 14.01 0.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.973 2.449 . . . . 0.0 113.215 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . 70.31 132.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.703 0.801 . . . . 0.0 112.314 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 33.4 mmtp -102.22 172.27 6.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.21 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -107.16 114.34 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.497 ' OD1' ' HB2' ' B' ' 44' ' ' ARG . 3.1 p30 -129.21 148.86 51.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 -178.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.747 HG12 HG12 ' B' ' 29' ' ' ILE . 33.2 mt -97.38 106.32 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.727 175.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.497 ' HB2' ' OD1' ' B' ' 42' ' ' ASP . 6.8 ttm180 -123.86 165.92 16.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.049 0.452 . . . . 0.0 111.333 -170.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' B' ' 26' ' ' THR . . . -117.87 132.76 56.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.691 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -108.85 152.52 24.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.804 ' HB3' ' HE2' ' B' ' 52' ' ' LYS . 26.5 t -165.06 154.21 11.22 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.66 -173.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -82.58 -8.03 11.51 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.241 2.628 . . . . 0.0 111.584 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' B' ' 50' ' ' HIS . 22.2 t70 -85.23 -168.69 2.32 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.982 -177.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.417 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 32.4 m170 -118.14 -170.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.435 ' C ' ' H ' ' B' ' 53' ' ' MET . 69.7 p 57.84 -73.22 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.478 1.111 . . . . 0.0 112.673 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.804 ' HE2' ' HB3' ' B' ' 47' ' ' SER . 29.0 mmtp 75.64 -32.38 0.21 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.87 0.868 . . . . 0.0 111.561 175.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' MET . . . . . 0.435 ' H ' ' C ' ' B' ' 51' ' ' THR . 52.3 ttp 71.91 -33.67 0.28 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.198 0.999 . . . . 0.0 110.345 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' B' ' 52' ' ' LYS . . . 70.8 59.28 5.24 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.736 174.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.593 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 14.9 ptpt -82.46 4.03 25.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.784 0.326 . . . . 0.0 110.847 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 135.08 49.53 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.7 tt -120.39 137.47 54.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.101 0.477 . . . . 0.0 111.089 -170.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.423 HG23 ' HB3' ' B' ' 42' ' ' ASP . 12.8 m -93.59 143.89 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.455 -174.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.29 148.05 46.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.792 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.1 p -85.84 169.25 13.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -56.63 -44.28 81.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 0.0 111.144 -176.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -64.32 -47.76 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.636 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.12 -43.69 97.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.305 0.574 . . . . 0.0 110.351 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.53 ' O ' ' HG2' ' B' ' 67' ' ' MET . 23.3 t80 -60.4 -48.25 82.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -55.68 -44.02 76.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.81 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.51 ' HA ' ' OD2' ' B' ' 69' ' ' ASP . 23.4 m -61.73 -42.91 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.238 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 12.9 ptt? -65.37 -33.12 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.01 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.508 HG21 HD23 ' A' ' 75' ' ' LEU . 85.8 t -67.32 -50.51 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.51 ' OD2' ' HA ' ' B' ' 66' ' ' THR . 1.9 p30 -75.0 -38.42 61.61 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.767 -173.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.628 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -69.68 -40.77 76.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.418 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.41 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 9.9 m-85 -71.24 -30.96 66.96 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.896 177.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.706 ' HE2' ' HB2' ' A' ' 76' ' ' GLU . 6.3 ttmt -58.97 -37.74 77.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.175 0.512 . . . . 0.0 110.112 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.56 18.49 57.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -133.44 -77.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.05 0.425 . . . . 0.0 111.056 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.65 HD23 HG21 ' A' ' 68' ' ' VAL . 54.0 tp -72.33 121.16 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.755 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 71.51 -72.0 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 O-C-N 124.206 0.941 . . . . 0.0 111.224 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 47.82 35.31 4.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.909 0.883 . . . . 0.0 111.608 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 64.91 91.25 0.08 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.29 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 54.3 t60 72.01 96.18 0.07 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.172 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -44.22 -64.27 0.71 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.861 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -135.06 148.22 49.81 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.723 -0.656 . . . . 0.0 110.903 -178.213 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.662 0.268 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.19 116.09 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.505 -173.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.468 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 8.7 mtmp? 69.93 7.29 6.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.353 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.5 ttt -87.11 -53.2 5.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.172 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.35 88.78 2.89 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.994 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -96.84 -5.47 38.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.245 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 40.0 p90 -82.47 130.5 35.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.997 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -118.76 130.3 55.72 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.165 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.453 ' HA ' ' O ' ' A' ' 33' ' ' SER . 25.6 p90 -120.02 119.86 34.64 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.069 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 1.0 OUTLIER -129.52 153.37 48.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.421 -176.121 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.5 mt -96.39 91.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.237 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -77.54 -45.0 26.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.583 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -139.26 138.3 36.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.345 0.593 . . . . 0.0 111.922 -173.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.36 142.42 27.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.615 171.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.562 HD12 HG22 ' A' ' 29' ' ' ILE . 95.6 mt -87.02 -54.35 4.38 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.1 pt? -166.29 135.26 3.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.983 173.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.544 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 41.0 m -83.75 119.71 25.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.68 -77.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.659 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -165.0 166.91 18.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.134 0.492 . . . . 0.0 110.328 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 33.5 tt0 -92.24 146.29 23.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.312 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -112.43 158.46 19.82 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.5 mp0 -51.96 150.66 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.74 0.65 . . . . 0.0 112.39 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 1.5 mptm? 74.19 5.7 4.68 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.296 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 60.61 1.66 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.043 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -134.67 109.15 8.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 5.4 m -85.42 138.21 32.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -125.14 125.77 44.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.947 0.403 . . . . 0.0 110.056 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.544 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 21.1 pt-20 -148.74 172.53 14.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.957 -175.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.562 HG22 HD12 ' A' ' 15' ' ' LEU . 52.8 mt -112.95 123.49 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.545 ' H ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -136.25 175.08 9.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.251 -171.278 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -114.74 124.77 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.592 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.08 130.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.453 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.537 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 46.1 m -95.05 144.59 25.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.166 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.11 98.21 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.573 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.458 ' OD1' ' HA ' ' A' ' 7' ' ' PHE . 17.6 m120 54.73 25.48 6.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.325 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -170.42 174.61 44.42 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.783 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.22 -47.43 20.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 75.2 Cg_exo -48.7 104.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.948 2.432 . . . . 0.0 112.965 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB2' ' OG ' ' A' ' 33' ' ' SER . . . -104.6 121.46 43.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.787 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -97.35 174.58 6.63 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.502 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.517 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 24.4 m-85 -81.71 135.49 35.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.407 -167.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -144.36 134.78 24.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.44 HG22 HD13 ' B' ' 57' ' ' ILE . 56.4 mt -111.6 118.0 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ttp-105 -147.68 150.2 33.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.229 0.538 . . . . 0.0 111.745 -171.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.89 132.98 54.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.335 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -156.84 154.49 29.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.583 0.23 . . . . 0.0 111.147 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.903 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . 19.5 t -175.86 -58.9 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 175.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.903 ' HD3' ' HB3' ' A' ' 47' ' ' SER . 16.3 Cg_exo -71.5 157.36 56.44 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 122.046 1.831 . . . . 0.0 111.701 173.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.47 -29.08 3.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.457 -174.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -49.74 -78.9 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.75 0.656 . . . . 0.0 112.474 -169.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.0 m -152.47 79.47 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.182 0.515 . . . . 0.0 110.386 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -173.32 104.15 0.13 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.468 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.2 mtm -99.38 107.79 20.13 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.487 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.38 155.37 53.27 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.4 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -72.17 131.68 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.159 0.504 . . . . 0.0 111.091 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.85 150.27 21.6 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.6 127.71 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.365 0.602 . . . . 0.0 110.844 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.9 m -97.03 132.66 42.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.35 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.24 146.4 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.974 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.588 ' HB2' ' OE1' ' A' ' 63' ' ' GLU . 14.5 m -86.0 168.99 13.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.517 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 25.0 p-10 -55.33 -41.43 72.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.089 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.91 -58.56 7.46 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.588 ' OE1' ' HB2' ' A' ' 60' ' ' SER . 1.8 mp0 -60.09 -43.94 95.17 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.494 ' O ' ' HG2' ' A' ' 67' ' ' MET . 24.0 t80 -64.7 -45.07 88.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.464 ' OE1' ' HB3' ' B' ' 76' ' ' GLU . 6.2 tp-100 -62.68 -45.01 94.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.248 175.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.7 m -58.53 -47.48 84.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 11.4 ptt? -61.92 -37.37 84.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.329 . . . . 0.0 110.177 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.736 HG21 HD22 ' B' ' 75' ' ' LEU . 29.2 t -65.17 -40.69 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.731 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.94 -50.96 72.08 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.325 0.583 . . . . 0.0 109.744 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.37 94.48 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.431 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.439 ' HZ ' HG21 ' B' ' 29' ' ' ILE . 14.7 m-85 -73.7 -26.14 60.57 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 17.0 pttm -85.55 -4.94 59.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.652 173.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.92 -12.63 55.17 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.002 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -144.34 -171.27 3.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 117.555 0.677 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' CD2' HG21 ' B' ' 68' ' ' VAL . 32.3 tp 69.57 -63.97 0.36 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.674 0.789 . . . . 0.0 111.985 175.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.6 80.01 2.59 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.939 0.876 . . . . 0.0 109.384 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -141.24 18.43 2.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.464 -1.244 . . . . 0.0 108.838 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -79.72 20.42 0.59 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.871 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -64.46 -25.58 68.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.259 173.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -105.14 95.98 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.559 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -86.67 121.55 29.34 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 . . . . . 0 C--N 1.316 -0.889 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.907 -176.38 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.467 0.175 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.92 117.58 13.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -95.73 147.71 23.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.3 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 49.1 ttm -86.68 123.03 31.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.103 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.2 50.32 1.83 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.176 0.512 . . . . 0.0 111.244 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.4 113.58 22.29 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 176.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -138.75 -62.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.97 -175.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -127.4 140.4 52.2 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.826 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.463 ' HB2' ' CG1' ' B' ' 32' ' ' VAL . 38.5 p90 -125.29 145.7 49.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.812 -178.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -130.85 143.86 51.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.909 0.385 . . . . 0.0 110.571 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -79.57 103.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.624 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 63.3 mm-40 -72.01 -43.7 64.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.456 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -147.05 114.42 6.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.442 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.51 HD12 HG22 ' B' ' 29' ' ' ILE . 96.0 mt -75.11 -63.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.455 -174.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 67' ' ' MET . 75.5 mt -143.99 143.84 31.4 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.533 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 17.0 m -106.38 102.53 11.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 166.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.533 HD11 HD11 ' B' ' 29' ' ' ILE . 68.4 mt -81.48 -58.33 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -169.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -157.75 165.17 36.06 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.741 -0.784 . . . . 0.0 112.946 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.588 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 0.2 OUTLIER -132.9 129.71 38.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 164.481 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.488 ' HB3' ' HB2' ' B' ' 25' ' ' TRP . 28.5 t-20 -95.09 124.54 39.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.939 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.457 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 12.7 mm-40 54.21 34.92 21.37 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 124.005 0.816 . . . . 0.0 110.014 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.7 tttp 42.36 73.34 0.14 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.238 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.553 ' CA ' ' HG3' ' B' ' 48' ' ' PRO . . . -179.6 -60.53 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.198 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.488 ' HB2' ' HB3' ' B' ' 21' ' ' ASN . 81.0 m95 -82.85 96.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.982 0.42 . . . . 0.0 109.924 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.588 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 75.7 p -86.59 168.74 13.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.475 -175.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 8.0 ttpm? -146.83 113.72 6.12 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 5.3 mp0 -124.05 166.49 15.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.149 -173.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.533 HD11 HD11 ' B' ' 18' ' ' LEU . 62.0 mt -127.61 133.36 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.079 176.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -157.48 161.15 38.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.57 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 60.8 mtm180 -98.19 125.93 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.435 174.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' B' ' 9' ' ' PHE . 47.1 t -117.75 135.73 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.259 -174.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.3 p -103.14 139.43 38.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.806 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -111.83 107.28 16.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 62.13 -78.81 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.828 0.705 . . . . 0.0 111.495 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.2 35.93 1.13 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.31 153.26 41.28 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 147.66 55.82 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.041 2.494 . . . . 0.0 112.331 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -63.73 119.68 10.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.708 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -105.63 168.49 9.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.741 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.558 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 75.7 m-85 -96.3 130.29 43.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -119.07 120.07 36.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.103 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.508 HD13 HG23 ' B' ' 29' ' ' ILE . 18.8 mm -106.23 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -146.02 144.95 30.4 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.171 -168.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -100.72 148.63 24.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.969 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -125.23 145.08 50.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.2 p -89.32 160.13 43.13 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.453 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.553 ' HG3' ' CA ' ' B' ' 24' ' ' GLY . 36.5 Cg_exo -60.4 -38.4 74.64 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.494 2.129 . . . . 0.0 111.046 177.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.02 137.54 53.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.78 175.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -77.89 0.53 23.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -167.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -72.73 -28.35 62.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.564 0.62 . . . . 0.0 110.975 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -86.5 -19.69 29.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.356 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 23.4 mmt 62.33 -176.7 0.14 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.193 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.46 178.06 23.46 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.301 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -127.84 154.6 45.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.912 0.356 . . . . 0.0 110.538 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.74 179.39 40.62 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.648 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 43' ' ' ILE . 19.7 tt -139.42 137.11 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.058 0.456 . . . . 0.0 110.817 -178.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 19.4 m -93.02 131.57 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.55 140.13 45.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.073 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.8 m -74.72 159.29 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.201 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.558 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 9.9 m120 -60.08 -38.62 83.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -177.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' B' ' 62' ' ' GLU . 30.8 mp0 -70.16 -46.97 63.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.459 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.93 -38.69 86.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.311 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.415 ' O ' ' HG2' ' B' ' 67' ' ' MET . 36.8 t80 -63.92 -46.25 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.426 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -58.7 -40.78 84.64 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 109.818 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.5 m -58.67 -50.73 72.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.643 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.618 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.4 ptt? -64.54 -39.79 94.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.657 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 42.6 t -61.52 -43.41 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.23 -176.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.61 ' HA ' ' HG2' ' B' ' 72' ' ' LYS . 36.8 t70 -66.48 -35.55 80.56 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.063 0.459 . . . . 0.0 110.659 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.88 74.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.417 ' HB3' HG22 ' A' ' 68' ' ' VAL . 20.6 m-85 -81.39 -32.56 32.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.663 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.61 ' HG2' ' HA ' ' B' ' 69' ' ' ASP . 9.5 ptmm? -72.43 -15.3 61.83 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.53 37.5 1.62 Allowed Glycine 0 CA--C 1.522 0.512 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.707 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 76.89 96.98 0.07 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.849 0.86 . . . . 0.0 112.518 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.736 HD22 HG21 ' A' ' 68' ' ' VAL . 16.6 tp -107.02 -48.9 3.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.451 172.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.823 ' HG2' ' H ' ' B' ' 78' ' ' HIS . 0.0 OUTLIER -65.7 -27.0 68.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.332 -175.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' B' ' 76' ' ' GLU . 53.4 m80 68.99 6.24 5.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.948 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.823 ' H ' ' HG2' ' B' ' 76' ' ' GLU . 99.1 m-70 -127.88 57.41 1.54 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.787 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -62.75 118.83 8.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.026 177.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -124.58 9.68 8.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.623 -175.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -162.03 136.55 6.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.301 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.761 -0.637 . . . . 0.0 109.839 178.152 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' A' ' 5' ' ' ALA . 17.7 pttm -77.19 156.46 31.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 111.152 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -77.04 65.89 2.76 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.768 -171.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptt? 40.3 38.4 0.54 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.262 1.025 . . . . 0.0 112.517 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.424 ' O ' ' HD2' ' A' ' 2' ' ' LYS . . . -147.62 -167.3 2.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.725 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -82.22 -168.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.925 0.393 . . . . 0.0 111.257 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -89.89 154.19 20.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.118 0.485 . . . . 0.0 111.513 -171.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -123.02 135.98 54.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.486 171.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -130.72 141.22 50.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.894 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -143.5 144.23 31.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.19 123.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 0.0 110.502 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.07 -56.92 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -146.27 121.07 9.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.663 -171.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -95.54 129.62 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 172.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 mt -94.83 -34.93 12.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.85 -169.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.8 OUTLIER -152.45 116.51 4.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -171.687 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.634 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 52.2 m -92.13 116.76 29.22 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 16' ' ' LEU . 95.3 mt -88.87 -68.78 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.966 -171.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -152.32 174.76 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.501 0.667 . . . . 0.0 112.671 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -124.76 114.41 19.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.446 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.564 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 15.9 m120 -96.18 177.81 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.495 -172.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 1.6 mp0 -47.33 140.05 5.87 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.702 -1.136 . . . . 0.0 112.118 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 tptp 73.24 7.2 5.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.531 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.92 27.68 25.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.364 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.0 m0 -88.19 105.89 17.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.7 m -85.84 138.21 32.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.899 0.381 . . . . 0.0 110.079 -174.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HE3' ' OD1' ' A' ' 21' ' ' ASN . 37.4 ttmt -118.51 120.3 37.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.801 -175.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.634 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 15.2 pt-20 -157.8 169.23 25.08 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.415 0.626 . . . . 0.0 111.514 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.545 HG12 HG23 ' A' ' 43' ' ' ILE . 67.4 mt -109.84 124.61 66.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.336 -175.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 14' ' ' HIS . 7.2 p30 -143.57 174.57 10.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.997 0.427 . . . . 0.0 111.436 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 69.3 mtp180 -114.71 123.4 49.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.184 178.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.53 132.98 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 t -92.98 125.84 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.48 98.59 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.588 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 65.52 -82.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.982 0.801 . . . . 0.0 110.819 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.18 66.95 0.4 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.09 159.09 57.23 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.81 129.76 36.89 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.623 2.215 . . . . 0.0 111.844 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -56.68 108.77 0.53 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.421 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -81.7 148.96 28.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.113 -175.874 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -76.89 128.76 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.236 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 44' ' ' ARG . 10.1 t70 -137.12 123.4 20.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.958 0.409 . . . . 0.0 110.582 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.723 HG22 HD13 ' B' ' 57' ' ' ILE . 55.6 mt -100.86 105.18 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 42' ' ' ASP . 13.4 ptp180 -139.31 156.35 47.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 112.26 -170.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.86 121.18 40.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.228 -0.897 . . . . 0.0 108.918 168.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -108.03 173.26 6.4 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.735 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.662 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 17.3 p -141.95 170.32 9.32 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.562 -170.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.662 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 60.8 Cg_endo -75.35 -11.86 20.85 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 121.997 1.798 . . . . 0.0 112.697 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -119.53 -30.84 4.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 73.96 4.5 4.64 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.666 0.604 . . . . 0.0 110.041 -174.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 m -75.57 83.73 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.315 0.579 . . . . 0.0 110.485 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HE3' ' HA2' ' A' ' 54' ' ' GLY . 54.3 pttt 174.04 -179.34 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.731 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 56.7 mtt -85.71 -20.07 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.035 0.445 . . . . 0.0 110.241 175.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 55' ' ' LYS . . . 121.82 -63.79 0.51 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.537 173.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 54' ' ' GLY . 21.6 mmtp 74.48 78.2 0.12 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.992 0.901 . . . . 0.0 109.301 -167.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.56 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -175.72 170.63 43.64 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.593 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.8 tt -145.76 141.02 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 117.273 0.537 . . . . 0.0 111.258 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.494 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 6.1 m -90.18 135.36 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.94 153.53 35.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.152 0.501 . . . . 0.0 111.048 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -85.05 162.89 19.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.036 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -57.15 -42.95 81.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.198 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -59.74 -47.38 85.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.094 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HB3' HD13 ' B' ' 18' ' ' LEU . 38.6 mt-10 -64.63 -43.98 91.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.807 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.573 ' HD2' HD21 ' B' ' 75' ' ' LEU . 7.0 t80 -57.76 -51.39 69.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.65 -176.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -62.14 -38.2 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.6 m -59.41 -46.65 88.11 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.62 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 23.2 ptt? -67.7 -34.62 77.26 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.396 -177.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 64' ' ' PHE . 90.8 t -57.97 -50.17 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.803 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.43 -40.84 89.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.254 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.72 96.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.481 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -88.1 -10.08 51.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.121 0.486 . . . . 0.0 110.892 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 77.9 tttt -66.27 -33.44 75.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 171.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.97 -43.52 2.6 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.874 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 34.4 m-80 -99.95 154.48 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -177.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.471 HD23 HG21 ' B' ' 68' ' ' VAL . 39.2 tp 73.99 -39.62 0.43 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.188 0.595 . . . . 0.0 111.559 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.05 97.58 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.49 0.662 . . . . 0.0 109.26 176.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -118.46 12.36 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.662 -173.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -94.69 80.56 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.396 0.617 . . . . 0.0 110.876 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -128.96 -49.38 1.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.238 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 143.53 32.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.144 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -89.4 -22.76 22.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.5 p80 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.239 175.266 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.792 0.329 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -140.52 108.52 5.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.38 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -93.86 -69.04 0.77 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.244 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 13.9 mmt -135.02 -32.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.79 -141.91 0.78 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.505 0.503 . . . . 0.0 109.783 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -153.79 176.93 11.56 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -70.18 100.65 1.71 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.238 0.542 . . . . 0.0 110.111 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m -98.0 118.72 35.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.192 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -105.89 119.22 38.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.143 0.497 . . . . 0.0 110.002 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -100.27 127.16 46.61 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.5 mt -81.5 103.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -75.92 -66.6 0.77 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.558 -174.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.49 ' HB3' HH11 ' B' ' 31' ' ' ARG . 37.2 tt0 -151.56 131.82 13.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.964 -173.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -81.03 116.01 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.523 HD12 HG22 ' B' ' 29' ' ' ILE . 41.1 mt -70.45 -54.86 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.347 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -165.44 153.63 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.654 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.444 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 21.7 m -98.8 136.43 38.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.819 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 63' ' ' GLU . 87.7 mt -92.31 -69.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.736 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -170.56 -177.37 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 12.6 pt-20 -114.75 136.12 53.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.562 0.696 . . . . 0.0 110.202 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 8.9 t30 -94.97 141.94 28.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.658 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 59.28 -91.27 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.141 0 O-C-N 124.283 0.99 . . . . 0.0 109.704 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -158.76 110.06 2.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 173.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.62 -20.14 46.54 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.508 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.438 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 50.1 m95 -76.56 81.23 3.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 117.814 0.807 . . . . 0.0 109.63 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 18.1 m -85.07 137.47 33.03 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.224 0.535 . . . . 0.0 110.761 -169.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HE2' ' O ' ' A' ' 58' ' ' THR . 2.8 ttmp? -115.19 121.65 43.62 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.47 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 0.1 OUTLIER -144.7 171.58 14.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.595 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.523 HG22 HD12 ' B' ' 15' ' ' LEU . 37.7 mt -119.35 117.21 53.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.19 159.37 33.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.225 0.535 . . . . 0.0 110.707 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.49 HH11 ' HB3' ' B' ' 13' ' ' GLU . 13.4 ttm105 -93.2 119.21 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.09 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -110.97 135.2 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.912 0.386 . . . . 0.0 110.716 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -103.67 106.6 17.16 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -88.58 119.62 29.21 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.306 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 72.26 -62.1 0.47 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.135 0.897 . . . . 0.0 112.61 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.45 -147.61 8.55 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.854 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.713 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -79.92 -37.18 1.09 Allowed Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 10.0 Cg_endo -51.14 104.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.501 2.134 . . . . 0.0 112.822 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.417 ' CB ' ' HD3' ' B' ' 31' ' ' ARG . . . -88.84 142.45 27.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.668 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -119.72 176.97 5.13 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.532 ' O ' ' HB2' ' B' ' 59' ' ' LEU . 29.8 m-85 -122.29 113.8 19.92 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -122.44 134.51 54.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.236 0.541 . . . . 0.0 111.06 -171.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 29' ' ' ILE . 56.0 mt -91.19 114.43 28.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.366 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -123.5 148.9 45.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.374 0.607 . . . . 0.0 112.005 -173.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.97 127.07 51.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.048 172.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -108.25 124.62 50.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.042 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.3 p -77.72 152.85 80.71 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.112 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.88 -22.82 48.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.23 1.953 . . . . 0.0 111.709 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -158.49 176.74 12.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -77.37 60.84 2.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.609 0.719 . . . . 0.0 110.288 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -87.97 -63.89 1.23 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.259 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -121.17 -85.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -158.17 -177.85 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.25 -76.83 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 62.98 -161.73 0.29 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.086 0.554 . . . . 0.0 112.059 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.32 -140.47 7.13 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.723 HD13 HG22 ' A' ' 43' ' ' ILE . 15.6 tt -141.82 135.6 29.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -89.75 139.27 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.26 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' B' ' 41' ' ' PHE . 90.4 mt -135.51 131.81 36.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.127 0.489 . . . . 0.0 110.795 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.0 p -91.63 179.43 5.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.118 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.18 -52.88 62.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.629 -173.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.09 -44.72 91.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.286 -176.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.32 -44.45 96.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.251 0.548 . . . . 0.0 110.44 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.475 ' O ' HG23 ' B' ' 68' ' ' VAL . 9.3 t80 -69.56 -45.45 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.873 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -43.06 86.77 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 177.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.1 m -58.03 -40.38 80.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.438 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.47 ' HB3' ' O ' ' B' ' 64' ' ' PHE . 13.7 tmm? -57.77 -41.41 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.625 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 64' ' ' PHE . 90.6 t -60.47 -63.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.249 -175.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.45 -36.02 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.557 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -63.52 -48.06 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.488 ' HB3' HG22 ' A' ' 68' ' ' VAL . 12.8 m-85 -76.0 -30.61 58.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.22 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 76.7 tttt -50.2 -39.67 44.91 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.817 0.698 . . . . 0.0 110.629 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.1 41.98 2.05 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.331 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -141.77 -40.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.573 HD21 ' HD2' ' A' ' 64' ' ' PHE . 5.5 mp -101.25 -172.46 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.597 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' B' ' 75' ' ' LEU . 33.3 tt0 70.3 143.09 0.05 Allowed 'General case' 0 N--CA 1.462 0.143 0 O-C-N 124.173 0.921 . . . . 0.0 110.181 -176.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -71.44 83.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 172.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.471 ' O ' ' HB3' ' B' ' 79' ' ' HIS . 13.6 t60 -114.35 -1.24 13.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.368 -169.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' B' ' 78' ' ' HIS . 42.3 t-80 68.09 98.04 0.06 Allowed 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -62.48 164.9 6.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.522 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -51.66 121.0 5.77 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.804 -168.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.232 -0.89 . . . . 0.0 108.669 175.599 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.892 0.377 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -153.21 116.67 4.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.179 0.514 . . . . 0.0 110.704 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -137.66 -8.62 1.65 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.825 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.2 mtt -86.12 -12.04 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.73 -176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.34 26.47 15.82 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.688 0.395 . . . . 0.0 111.758 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.45 163.62 27.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.88 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.571 ' HD2' HD21 ' A' ' 35' ' ' ASN . 93.8 m-85 -73.78 -178.98 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.961 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 p -87.84 116.21 25.83 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.492 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.622 ' HA ' ' O ' ' A' ' 33' ' ' SER . 48.5 p90 -147.41 131.06 16.87 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -153.81 144.36 22.42 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.68 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.562 HG12 HG22 ' A' ' 32' ' ' VAL . 62.7 mt -75.92 105.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.115 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.56 -50.5 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.994 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -133.2 146.9 51.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.54 113.69 26.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 29' ' ' ILE . 95.2 mt -68.56 -70.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.549 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.89 137.76 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 176.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.553 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 11.4 m -73.43 137.42 44.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.637 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 79.7 mt -93.67 -80.26 0.39 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.776 0.322 . . . . 0.0 110.569 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' B' ' 63' ' ' GLU . 59.1 m -162.45 156.72 21.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.756 -175.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 0.7 OUTLIER -101.24 145.12 29.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.296 0.569 . . . . 0.0 110.764 176.35 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.89 145.13 42.52 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.25 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HB3' ' HD1' ' A' ' 25' ' ' TRP . 24.2 tt0 62.97 17.84 10.4 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.011 0.434 . . . . 0.0 111.38 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt 57.17 90.39 0.04 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA3' ' HG3' ' A' ' 48' ' ' PRO . . . 131.4 -46.94 1.04 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.148 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.5 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 83.7 m95 -77.11 91.63 3.71 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 15.7 m -86.18 137.8 32.37 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.013 0.435 . . . . 0.0 110.544 -173.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HG3' HD11 ' B' ' 57' ' ' ILE . 14.9 ttmm -104.61 116.72 32.55 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.553 ' HG3' ' HA ' ' A' ' 17' ' ' THR . 36.1 tt0 -137.7 152.23 49.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.964 -177.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 15' ' ' LEU . 53.1 mt -109.82 113.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.174 0.512 . . . . 0.0 109.946 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -121.12 176.44 5.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.308 -176.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -120.79 124.71 45.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.245 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.562 HG22 HG12 ' A' ' 11' ' ' ILE . 46.0 t -115.25 131.11 68.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.622 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 27.2 t -83.71 133.07 34.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -122.53 97.62 5.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.735 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.571 HD21 ' HD2' ' A' ' 7' ' ' PHE . 5.3 m-20 51.47 85.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.742 0.651 . . . . 0.0 112.484 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.6 -107.73 0.64 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.836 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.983 ' H ' ' HD2' ' A' ' 38' ' ' PRO . . . -148.61 -42.48 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.983 ' HD2' ' H ' ' A' ' 37' ' ' ALA . 9.3 Cg_endo -52.63 105.71 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.721 2.28 . . . . 0.0 112.693 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.28 98.59 11.04 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.736 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -74.74 163.22 27.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -87.08 132.96 33.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.812 -173.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' OD2' ' HD2' ' A' ' 44' ' ' ARG . 15.1 t70 -130.89 109.93 10.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.272 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.515 HG23 HG12 ' A' ' 29' ' ' ILE . 53.0 mt -91.0 105.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' HD2' ' OD2' ' A' ' 42' ' ' ASP . 17.4 ttt85 -127.03 156.35 41.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.345 0.593 . . . . 0.0 112.385 -163.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.465 ' HB3' ' H ' ' A' ' 55' ' ' LYS . . . -104.83 137.38 42.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.654 171.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.5 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 29.9 m95 -107.85 136.38 47.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.141 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -88.76 150.02 45.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.358 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.402 ' HG3' ' HA3' ' A' ' 24' ' ' GLY . 72.9 Cg_exo -50.43 -56.33 3.2 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.431 2.087 . . . . 0.0 111.954 173.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -162.41 86.77 0.6 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.839 0.352 . . . . 0.0 110.952 176.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 56.93 32.24 21.17 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.993 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 m -62.6 -66.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.519 -173.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -131.45 -81.18 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.4 ttt -175.94 -49.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.38 -143.56 16.73 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.526 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 46.6 mmtm -141.1 167.55 21.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 167.77 157.53 11.03 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.707 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.56 HD13 HG22 ' B' ' 43' ' ' ILE . 16.7 tt -154.54 131.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.938 0.399 . . . . 0.0 110.443 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 p -88.0 134.67 33.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.479 HD12 ' HD1' ' A' ' 64' ' ' PHE . 79.1 mt -118.8 137.3 53.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.151 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.521 ' HB2' ' HG3' ' A' ' 63' ' ' GLU . 6.3 m -73.91 161.55 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -53.74 -49.12 68.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.404 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.81 -46.64 87.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.521 ' HG3' ' HB2' ' A' ' 60' ' ' SER . 32.2 mt-10 -64.46 -42.77 95.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.725 -176.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.599 ' O ' ' HG3' ' A' ' 67' ' ' MET . 43.2 t80 -63.76 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.138 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -44.22 90.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.652 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 85.6 m -53.91 -43.96 70.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.032 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -73.6 -29.71 62.55 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.259 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.694 HG21 HD23 ' B' ' 75' ' ' LEU . 35.3 t -63.61 -46.12 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.724 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -74.56 -32.83 62.54 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.259 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.27 77.94 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.497 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' HB3' HG13 ' B' ' 68' ' ' VAL . 26.2 m-85 -75.05 -17.02 60.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.898 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 79.0 tttt -65.15 -33.33 75.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.529 0.68 . . . . 0.0 109.286 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.47 -27.49 43.14 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.7 -176.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -128.37 171.48 11.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.753 0.777 . . . . 0.0 111.887 -173.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HG21 ' B' ' 68' ' ' VAL . 25.6 tp 72.36 -8.83 1.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.742 0.817 . . . . 0.0 112.069 176.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -77.9 112.18 14.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.59 0.709 . . . . 0.0 111.076 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -154.86 31.41 0.41 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.053 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -59.74 105.67 0.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.266 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -128.66 177.88 6.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.611 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -81.77 -49.74 10.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -141.15 165.56 27.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.789 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.544 -0.741 . . . . 0.0 109.205 174.163 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.546 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 27.0 ttt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.604 0.24 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' B' ' 1' ' ' MET . 28.6 tttp 170.49 -38.32 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.829 178.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -154.57 -47.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.461 -175.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.4 ttt -79.37 -70.55 0.5 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.662 0.268 . . . . 0.0 111.059 -174.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' B' ' 1' ' ' MET . . . -104.12 101.38 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -112.73 121.64 45.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 -172.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -138.63 157.93 45.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.783 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p -103.87 141.8 35.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.46 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -124.61 120.42 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.137 0.494 . . . . 0.0 110.13 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.97 114.43 26.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.001 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.424 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -74.19 104.03 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -89.03 -65.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.362 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' B' ' 31' ' ' ARG . 38.5 tt0 -128.52 147.34 50.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.118 -170.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -105.13 113.1 26.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.54 HD12 HG22 ' B' ' 29' ' ' ILE . 97.2 mt -70.35 -57.97 4.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.5 138.56 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.547 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.938 HG23 ' HG2' ' B' ' 28' ' ' GLU . 91.6 m -86.15 114.44 23.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.497 HD21 ' HB3' ' A' ' 67' ' ' MET . 94.5 mt -67.34 -71.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -179.27 161.01 1.06 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.86 -174.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -103.17 140.11 37.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.234 0.54 . . . . 0.0 110.168 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -92.57 144.43 25.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.85 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 58.19 -92.29 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 O-C-N 124.168 0.917 . . . . 0.0 109.593 -172.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -172.09 84.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -34.91 1.8 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.972 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -72.62 83.21 1.14 Allowed 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.524 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.3 m -86.12 137.26 32.8 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.136 -171.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' B' ' 44' ' ' ARG . 7.3 ttpm? -128.29 117.28 21.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.104 -171.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.938 ' HG2' HG23 ' B' ' 17' ' ' THR . 24.6 mt-10 -134.35 163.81 28.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.67 -172.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.54 HG22 HD12 ' B' ' 15' ' ' LEU . 51.4 mt -117.74 116.02 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -123.34 -176.16 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.544 . . . . 0.0 111.23 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 33.9 mtm180 -126.82 101.93 6.81 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.192 168.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' B' ' 11' ' ' ILE . 76.3 t -106.97 135.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.05 0.452 . . . . 0.0 111.132 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -90.54 136.24 33.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.285 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.61 121.6 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.829 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 63.33 -82.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.894 0.746 . . . . 0.0 111.292 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.04 10.85 1.38 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.2 154.64 51.97 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.37 158.08 32.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.583 2.188 . . . . 0.0 112.31 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' B' ' 31' ' ' ARG . . . -61.42 118.98 7.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.058 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 69.8 mmtt -101.55 161.57 13.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.383 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.443 ' HD1' HD11 ' B' ' 15' ' ' LEU . 8.6 m-85 -85.07 114.79 22.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 -173.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -116.51 141.19 48.5 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.189 0.519 . . . . 0.0 111.067 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.56 HG22 HD13 ' A' ' 57' ' ' ILE . 55.7 mt -104.83 104.6 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 45.0 ttt180 -114.81 128.76 56.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.64 -168.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.28 108.58 14.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 31.5 p-90 -108.39 133.87 51.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.214 0.53 . . . . 0.0 111.365 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -77.26 157.32 80.91 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.535 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -57.39 113.66 1.59 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.609 2.206 . . . . 0.0 112.089 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 59.65 -90.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.564 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -155.22 85.13 1.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.75 0.786 . . . . 0.0 111.074 173.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.481 HG22 ' HD2' ' B' ' 52' ' ' LYS . 32.9 m -109.19 -51.05 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.169 176.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.481 ' HD2' HG22 ' B' ' 51' ' ' THR . 13.7 mptt -124.58 178.17 5.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.713 173.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 66.8 mtt -80.35 -26.0 38.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.966 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' B' ' 55' ' ' LYS . . . 85.31 -62.7 4.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.58 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 54' ' ' GLY . 87.5 mttt 73.42 -172.98 0.14 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.244 0.618 . . . . 0.0 111.704 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLY . . . . . 0.552 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 153.56 -162.96 30.57 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -176.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.477 HG22 HG22 ' A' ' 57' ' ' ILE . 12.1 tt -151.55 142.93 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.099 0.449 . . . . 0.0 111.041 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.2 m -106.0 142.21 36.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mp -120.69 148.31 44.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.488 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 33.0 t -96.86 -173.39 2.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.972 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -64.06 -49.59 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -66.34 -57.09 8.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 2.5 pm0 -61.54 -35.45 77.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.744 -176.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.73 -45.84 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.836 0.351 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -32.65 74.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -63.31 -50.29 70.62 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.178 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -67.45 -37.74 83.43 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.821 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.55 HG13 ' HB3' ' A' ' 71' ' ' PHE . 42.1 t -60.77 -55.6 23.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.181 -176.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -52.76 -46.79 67.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 123.319 0.387 . . . . 0.0 110.715 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.82 -58.93 6.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.4 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.427 ' HB3' HG13 ' A' ' 68' ' ' VAL . 34.4 m-85 -67.38 -30.25 69.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.169 -177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.898 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 44.5 tttm -59.54 -28.06 66.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.244 0.545 . . . . 0.0 110.175 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.07 81.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.73 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -158.37 -178.08 7.02 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.915 1.357 . . . . 0.0 112.814 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 68' ' ' VAL . 50.4 tp 71.42 -57.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.568 1.147 . . . . 0.0 113.245 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.93 149.74 35.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.802 0.334 . . . . 0.0 110.209 -177.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -146.44 163.34 35.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.212 0.53 . . . . 0.0 111.754 -172.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -141.82 37.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.998 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -140.57 115.16 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.117 0.484 . . . . 0.0 111.835 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.75 117.72 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.295 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -97.76 159.32 15.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.003 0.43 . . . . 0.0 111.41 -174.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 75.8 m80 . . . . . 0 C--O 1.244 0.797 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.456 175.439 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.983 0.42 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -142.79 116.78 9.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.632 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -153.82 91.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.37 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 mmt -102.29 115.52 30.74 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.47 -165.83 2.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.177 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -88.12 151.64 22.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.552 -178.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 17.6 m-85 -86.55 136.07 33.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.319 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m -72.82 117.18 14.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 45.4 p90 -120.44 138.78 53.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.181 0.515 . . . . 0.0 111.215 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.4 145.95 41.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.954 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.74 122.43 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.189 0.518 . . . . 0.0 110.958 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.506 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 14.2 mm-40 -88.59 -50.51 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.863 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.518 ' OE1' ' HD3' ' A' ' 31' ' ' ARG . 51.4 tt0 -146.35 144.73 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.787 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -96.91 116.34 29.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.569 HD12 HG22 ' A' ' 29' ' ' ILE . 92.8 mt -71.54 -55.54 7.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.075 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.0 OUTLIER -169.05 144.45 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.203 175.018 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -84.52 110.09 18.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.471 HD12 ' HG2' ' A' ' 27' ' ' LYS . 88.8 mt -62.13 -75.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.453 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 66.6 m -165.83 155.63 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 35.1 tt0 -100.2 132.05 45.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.624 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.73 123.21 44.61 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.502 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 41.67 42.58 2.12 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.687 1.242 . . . . 0.0 113.547 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 63.05 106.04 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.841 0.713 . . . . 0.0 111.731 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.89 -48.54 0.93 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.951 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.456 ' HZ2' ' HD2' ' A' ' 52' ' ' LYS . 71.9 m95 -78.65 79.97 5.04 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.134 0.467 . . . . 0.0 110.241 -176.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.501 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 5.9 m -91.89 137.73 32.13 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.736 -173.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.71 ' HE2' ' HB3' ' B' ' 59' ' ' LEU . 4.2 ttmp? -116.95 125.57 51.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.706 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.7 tt0 -147.98 152.59 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.215 -175.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.569 HG22 HD12 ' A' ' 15' ' ' LEU . 50.4 mt -109.47 123.33 65.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -124.14 161.59 25.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 0.0 111.768 -170.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.642 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 42.5 mtp-105 -99.93 108.62 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 168.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 53.0 t -114.12 132.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -173.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 p -89.22 132.39 34.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -113.71 101.09 8.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -173.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 59.2 t30 57.59 30.31 18.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.165 169.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.76 -16.54 23.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.305 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.42 149.48 75.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 157.93 14.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.955 2.437 . . . . 0.0 112.802 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.506 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -66.93 106.56 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.071 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 8.8 mtpm? -84.37 162.82 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.738 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' HD1' HD11 ' A' ' 15' ' ' LEU . 44.6 m-85 -91.08 112.91 25.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -137.4 140.22 41.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.968 0.413 . . . . 0.0 110.764 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.516 HG23 HG12 ' A' ' 29' ' ' ILE . 59.6 mt -98.74 130.18 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.113 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -147.07 172.25 14.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.363 0.602 . . . . 0.0 111.497 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.66 135.71 46.01 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.501 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 38.5 p-90 -111.17 131.42 55.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.532 0.682 . . . . 0.0 110.704 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.72 161.43 74.08 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.014 -175.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -67.57 82.89 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.197 1.931 . . . . 0.0 111.258 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.0 t70 61.78 79.0 0.27 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.186 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.9 p80 37.85 40.57 0.29 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.768 1.227 . . . . 0.0 113.918 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 m -94.75 121.46 36.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.765 0.316 . . . . 0.0 111.01 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HD2' ' HZ2' ' A' ' 25' ' ' TRP . 63.0 mttp 69.6 -88.44 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.999 178.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -160.61 164.58 31.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.705 -174.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.7 -74.85 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt 59.66 -160.69 0.28 Allowed 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.102 0.561 . . . . 0.0 112.371 175.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.78 -159.39 31.34 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.481 HD13 HG22 ' B' ' 43' ' ' ILE . 19.2 tt -133.16 134.13 57.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.071 0.462 . . . . 0.0 110.457 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 p -94.45 138.88 31.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.335 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -128.02 147.73 50.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.297 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.63 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 40.1 t -77.99 153.27 32.57 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 170.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.18 -32.64 66.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.26 0.553 . . . . 0.0 110.665 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.04 -44.71 60.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.63 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 46.4 mt-10 -63.07 -40.17 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.25 0.548 . . . . 0.0 109.866 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.538 ' O ' ' HG3' ' A' ' 67' ' ' MET . 32.3 t80 -59.71 -52.82 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.297 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -58.35 -37.11 74.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.691 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.3 m -57.26 -50.74 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.404 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.538 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -71.35 -33.13 69.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.734 -178.727 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.538 HG21 HD22 ' B' ' 75' ' ' LEU . 78.0 t -60.43 -51.59 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.98 0.419 . . . . 0.0 110.451 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.96 -43.88 91.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.657 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -68.15 -45.32 73.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.97 -178.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.467 ' CE1' HD23 ' B' ' 16' ' ' LEU . 17.2 m-85 -74.32 -24.55 59.23 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.709 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 48.1 tttm -75.13 -25.94 58.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.46 . . . . 0.0 109.906 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.25 -49.9 4.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.137 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -90.17 -167.37 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.875 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 16.8 tp 51.36 -151.87 0.23 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.351 0.407 . . . . 0.0 110.011 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.875 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 18.1 tp10 57.08 26.88 12.56 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.961 0.886 . . . . 0.0 109.425 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -99.13 90.28 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.708 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -80.72 100.56 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -110.85 84.67 1.97 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.377 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.2 m80 54.35 -113.1 0.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.483 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.76 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.614 0.766 . . . . 0.0 111.34 177.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.172 178.733 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.878 0.37 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -95.27 136.55 35.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -102.27 -85.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.766 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.3 mmt 65.75 -41.07 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 0.0 112.751 -176.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.17 134.65 17.36 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' B' ' 6' ' ' GLU . 0.3 OUTLIER -63.54 -63.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.381 0.61 . . . . 0.0 109.487 179.122 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -133.51 98.31 4.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.689 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -94.9 139.41 31.36 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.719 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' B' ' 33' ' ' SER . 39.1 p90 -153.42 142.44 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -143.94 151.25 39.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.415 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -75.54 109.68 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 0.8 OUTLIER -80.97 -45.23 16.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.079 -176.365 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.432 ' HB3' ' HD3' ' B' ' 31' ' ' ARG . 39.7 tt0 -161.94 117.9 2.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -89.25 121.8 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 0.0 109.676 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.65 -52.9 4.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.761 -172.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.509 HD12 HD23 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -132.38 102.92 5.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -174.121 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -84.84 94.63 8.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 172.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.509 HD23 HD12 ' B' ' 16' ' ' LEU . 90.7 mt -68.51 -75.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.424 -171.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -171.1 171.65 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.807 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -110.92 139.58 46.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.654 0.74 . . . . 0.0 110.26 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.429 HD21 ' HB2' ' B' ' 27' ' ' LYS . 30.6 m-80 -81.79 164.54 21.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.078 -176.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -45.35 -38.09 5.5 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -81.62 12.2 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.313 . . . . 0.0 111.535 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.72 22.77 65.91 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.696 ' HZ3' ' HA2' ' B' ' 54' ' ' GLY . 9.5 m0 -93.87 127.84 39.83 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 -174.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.23 137.27 32.75 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -173.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HB2' HD21 ' B' ' 21' ' ' ASN . 36.1 ttpt -127.83 117.72 22.36 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -146.97 171.99 14.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.754 0.788 . . . . 0.0 112.099 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.518 HG12 HG23 ' B' ' 43' ' ' ILE . 69.2 mt -124.8 126.02 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.493 -1.231 . . . . 0.0 109.653 178.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.409 HD21 HG23 ' B' ' 11' ' ' ILE . 25.1 p-10 -154.1 172.96 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.313 0.578 . . . . 0.0 112.52 -173.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 16.4 mtp180 -100.54 128.76 46.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.87 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 37.0 t -121.03 135.61 60.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 11.1 p -88.8 121.98 31.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -109.71 114.34 27.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 p30 44.8 33.67 1.03 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.513 1.125 . . . . 0.0 113.764 173.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.26 -138.28 6.36 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.313 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.651 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -70.48 -46.99 19.05 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.9 Cg_endo -52.35 107.17 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.027 2.485 . . . . 0.0 113.795 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -115.15 105.76 13.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 171.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 11.4 ptmm? -119.77 -179.5 3.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.184 0.516 . . . . 0.0 112.035 -170.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.534 ' HE2' HD21 ' B' ' 59' ' ' LEU . 23.0 t80 -83.61 128.29 34.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.57 -178.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.436 ' OD2' HG22 ' B' ' 58' ' ' THR . 4.6 m-20 -142.92 137.26 29.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.395 . . . . 0.0 110.928 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.518 HG23 HG12 ' B' ' 29' ' ' ILE . 15.7 mt -103.31 128.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -141.36 150.46 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.45 -171.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.89 109.46 12.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.863 167.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 7.5 p-90 -116.79 160.85 20.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.087 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 m -70.39 152.9 95.42 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.174 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.99 -61.15 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.181 2.587 . . . . 0.0 112.977 -177.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -134.4 -53.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.523 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -74.77 110.19 8.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.345 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 6.2 p -62.87 112.35 2.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.439 0.637 . . . . 0.0 112.538 -174.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -116.19 12.36 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.134 174.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 23.5 mmt 73.7 -78.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.244 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLY . . . . . 0.696 ' HA2' ' HZ3' ' B' ' 25' ' ' TRP . . . 101.96 -129.89 10.05 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.604 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -155.61 176.24 12.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 110.673 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.5 -166.81 35.5 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.9 tt -155.24 138.02 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 117.063 0.432 . . . . 0.0 110.507 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.436 HG22 ' OD2' ' B' ' 42' ' ' ASP . 68.9 p -102.78 126.32 49.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.017 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.71 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.6 pt? -146.03 168.75 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.54 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 p -88.96 166.19 14.08 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.2 -24.07 62.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 110.625 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -60.11 -51.46 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.93 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 37.1 mt-10 -64.06 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.461 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' B' ' 67' ' ' MET . 7.1 t80 -59.63 -59.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.881 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -30.86 64.61 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.648 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -60.7 -50.48 73.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.347 177.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.573 ' HA ' HD11 ' A' ' 16' ' ' LEU . 15.3 ptt? -67.8 -37.96 82.68 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.922 0.391 . . . . 0.0 110.198 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.644 HG21 HD23 ' A' ' 75' ' ' LEU . 75.3 t -62.01 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.882 -177.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.821 ' HA ' ' HE2' ' B' ' 72' ' ' LYS . 23.9 t70 -57.33 -49.68 75.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.202 176.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.422 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -62.58 -44.93 95.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.424 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.8 m-85 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 -178.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.821 ' HE2' ' HA ' ' B' ' 69' ' ' ASP . 27.9 ttpt -61.95 -31.24 71.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.211 0.529 . . . . 0.0 110.075 173.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.5 -1.16 81.29 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.884 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.544 ' HB3' HD12 ' B' ' 75' ' ' LEU . 5.1 m-20 -127.12 -178.37 4.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.809 0.305 . . . . 0.0 110.946 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' B' ' 74' ' ' ASN . 6.7 mp 47.03 -145.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.656 0.598 . . . . 0.0 111.788 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.699 ' HG3' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER 74.24 179.38 0.2 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.16 173.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 55.1 p-80 -52.9 117.88 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.642 0.734 . . . . 0.0 111.959 -175.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -120.29 124.38 45.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.198 171.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -79.87 14.34 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -168.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -81.08 -4.93 56.89 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 166.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.53 145.8 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.633 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.467 -0.777 . . . . 0.0 109.578 178.262 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -80.11 152.94 29.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.526 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -68.3 121.02 15.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.646 -175.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.9 mmm -169.28 126.38 0.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.014 177.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.24 78.47 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.154 0.502 . . . . 0.0 110.717 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -132.65 26.03 4.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.445 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -79.66 -142.27 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -131.76 161.12 33.64 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.704 -0.622 . . . . 0.0 111.001 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -108.11 126.22 52.51 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.75 139.58 52.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.048 0.451 . . . . 0.0 111.307 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 11' ' ' ILE . 3.6 mp -87.99 97.2 6.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -87.43 -29.87 21.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.224 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 9.2 tp10 -125.29 141.01 52.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -175.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -118.42 121.57 40.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.403 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD12 HG22 ' A' ' 29' ' ' ILE . 44.7 mt -81.28 -56.11 4.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' B' ' 70' ' ' ALA . 1.1 pt? -173.34 154.21 2.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.366 172.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.57 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 32.1 m -99.06 112.56 24.66 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 170.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' B' ' 63' ' ' GLU . 37.9 mt -62.0 -70.08 0.21 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.471 -174.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.422 ' OG ' ' HG3' ' B' ' 63' ' ' GLU . 53.1 p -171.94 176.85 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -94.9 131.72 40.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.46 153.99 32.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.87 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 63.06 11.53 5.26 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.199 174.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mttp 58.83 78.75 0.24 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.384 0.611 . . . . 0.0 110.554 -178.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.5 -46.55 0.92 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.227 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.637 ' HZ3' ' HA2' ' A' ' 54' ' ' GLY . 32.3 m95 -85.59 121.46 28.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.577 0.227 . . . . 0.0 110.535 -175.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -87.16 136.98 32.72 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.949 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.799 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 39.8 ttmt -106.07 118.08 35.7 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.57 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 10.8 pt-20 -156.69 170.56 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.089 0.471 . . . . 0.0 111.552 -173.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.619 HG22 HD12 ' A' ' 15' ' ' LEU . 17.9 mt -128.11 132.23 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.875 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 9.3 p30 -144.37 -178.38 5.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.301 -176.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 35.0 mtm180 -117.34 123.28 46.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 175.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 11' ' ' ILE . 38.8 t -103.11 132.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -177.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.6 t -100.44 127.05 46.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.538 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.86 104.07 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.146 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 65.22 23.27 12.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.143 175.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.97 75.42 1.28 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.067 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -156.93 166.42 16.68 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 88.6 Cg_exo -47.8 123.29 8.21 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.53 2.153 . . . . 0.0 111.772 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.82 125.37 29.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.404 -173.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -99.16 150.11 22.39 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 1.7 p90 -83.33 144.47 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.157 0.503 . . . . 0.0 111.081 -173.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.571 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 7.5 t70 -138.74 135.25 34.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.361 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.556 HG23 HG12 ' A' ' 29' ' ' ILE . 43.6 mt -112.99 111.39 35.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.219 -177.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.873 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 63.9 mtt180 -146.34 175.46 10.52 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.715 0.769 . . . . 0.0 112.026 -178.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.36 127.05 53.22 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.684 165.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.73 144.31 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.442 0.639 . . . . 0.0 111.149 -170.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 p -73.78 134.26 78.69 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.249 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.23 -51.3 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.614 2.21 . . . . 0.0 109.911 170.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -88.39 107.15 18.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 169.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -86.05 25.52 1.13 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -162.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.7 p -77.23 -20.35 55.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.634 0.731 . . . . 0.0 109.07 169.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -93.86 149.61 21.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.058 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.8 mtt -75.78 -73.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.637 ' HA2' ' HZ3' ' A' ' 25' ' ' TRP . . . 123.81 124.26 2.88 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 -174.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -96.02 148.39 22.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 0.0 111.537 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.873 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . 175.12 -147.14 8.77 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.394 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.639 ' HB ' ' CA ' ' B' ' 56' ' ' GLY . 19.1 tt -146.96 134.07 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.022 0.439 . . . . 0.0 111.521 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.0 m -97.22 129.97 44.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -127.59 168.93 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 0.0 111.212 -170.781 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.83 146.0 31.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.019 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' O ' ' HB3' ' A' ' 64' ' ' PHE . 24.2 p-10 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.468 -172.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.83 -51.21 43.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.762 ' HB3' ' HB3' ' B' ' 18' ' ' LEU . 2.9 mp0 -63.54 -25.37 68.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.161 0.505 . . . . 0.0 110.446 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.535 ' CE2' HD22 ' B' ' 75' ' ' LEU . 2.5 t80 -59.25 -52.09 67.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.938 173.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -61.62 -33.42 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.496 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.0 m -58.98 -53.57 56.92 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.481 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -72.12 -35.81 69.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.05 -175.384 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.662 HG21 HD23 ' B' ' 75' ' ' LEU . 48.7 t -58.66 -41.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.036 0.446 . . . . 0.0 110.781 177.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.29 -42.24 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.055 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.61 -49.35 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.584 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.605 ' HB3' HG22 ' B' ' 68' ' ' VAL . 35.8 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.379 -177.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.677 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . 6.1 ttpm? -60.92 -34.38 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.072 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.67 -48.72 79.62 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.967 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -174.22 123.64 0.31 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.016 0.436 . . . . 0.0 111.716 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD22 HG21 ' B' ' 68' ' ' VAL . 27.3 tp -133.65 -62.11 0.79 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -87.62 -96.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.353 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -151.31 168.0 26.12 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -112.78 132.96 55.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -115.3 81.04 1.51 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.99 0.424 . . . . 0.0 110.046 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -106.86 -22.64 12.63 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -128.58 173.61 10.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.741 175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.5 t60 . . . . . 0 C--O 1.243 0.76 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttm . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.798 0.333 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -99.41 105.25 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.912 0.386 . . . . 0.0 111.096 -174.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -126.59 -60.52 1.24 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.025 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 63.7 mtt -113.5 110.36 20.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.529 -172.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.85 88.25 7.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 169.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.34 -74.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.994 -173.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.602 ' HD1' ' HB2' ' B' ' 35' ' ' ASN . 83.1 m-85 -129.64 109.49 11.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -72.34 117.69 14.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.929 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.235 0.54 . . . . 0.0 110.431 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.29 125.02 50.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -81.67 97.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.502 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 12.5 mm-40 -64.77 -57.17 9.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.929 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -166.52 152.66 8.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.657 -175.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -99.96 127.31 46.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.478 HD12 HG22 ' B' ' 29' ' ' ILE . 89.7 mt -71.82 -55.24 7.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -161.42 144.12 12.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.453 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -86.0 119.25 26.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.517 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.762 ' HB3' ' HB3' ' A' ' 63' ' ' GLU . 79.2 mt -74.4 -57.13 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.919 0.39 . . . . 0.0 110.354 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -161.46 169.4 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.615 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 31.6 tt0 -144.38 104.27 4.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.034 0.445 . . . . 0.0 110.32 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -77.81 123.7 27.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.227 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 61.12 12.12 3.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.181 175.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.59 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . 50.5 tttm 64.0 19.14 11.62 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.78 0.8 . . . . 0.0 110.254 -177.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.69 -42.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.006 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.474 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 46.8 m95 -102.4 91.28 4.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 0.0 110.49 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 3.3 m -86.19 157.07 20.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -129.94 117.56 20.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.88 156.31 42.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -169.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.523 HG12 HG23 ' B' ' 43' ' ' ILE . 56.0 mt -111.61 122.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.282 175.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -137.15 167.32 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.743 0.306 . . . . 0.0 111.135 -172.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -108.76 124.5 50.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -121.67 129.58 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -96.11 123.8 39.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -105.8 117.39 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.944 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.602 ' HB2' ' HD1' ' B' ' 7' ' ' PHE . 23.2 t-20 72.81 -28.29 0.19 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 172.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.17 -6.57 1.54 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.611 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.66 147.5 86.9 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.7 131.8 24.87 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 0.0 112.123 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.502 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -57.01 123.42 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.534 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.563 ' HG3' ' HA ' ' B' ' 60' ' ' SER . 13.7 mptt -89.33 176.2 7.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.727 175.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -103.9 114.0 27.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' B' ' 58' ' ' THR . 28.4 t70 -110.81 129.66 55.79 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.947 0.403 . . . . 0.0 111.085 -174.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.523 HG23 HG12 ' B' ' 29' ' ' ILE . 22.8 mt -110.85 108.7 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.537 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.754 ' HB2' ' HA ' ' B' ' 55' ' ' LYS . 30.4 ptt-85 -154.0 -171.65 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.212 -177.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.98 161.91 15.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.705 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' TRP . . . . . 0.615 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 98.5 m95 -107.99 147.55 30.93 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 172.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m -143.0 164.98 28.7 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.05 98.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.31 2.006 . . . . 0.0 111.376 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' B' ' 50' ' ' HIS . 10.4 t70 -65.34 152.51 43.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.541 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.524 ' HB2' ' O ' ' B' ' 49' ' ' ASP . 30.2 m80 71.79 9.56 6.23 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.551 0.532 . . . . 0.0 110.567 -172.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.519 HG22 ' HG3' ' B' ' 52' ' ' LYS . 91.7 m -142.93 -62.76 0.42 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.206 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.519 ' HG3' HG22 ' B' ' 51' ' ' THR . 95.7 mttt -129.31 149.39 51.12 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.395 -0.19 . . . . 0.0 110.593 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 67.4 mtt -139.4 100.14 3.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.903 0.382 . . . . 0.0 111.227 178.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.46 163.41 34.01 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.754 ' HA ' ' HB2' ' B' ' 44' ' ' ARG . 48.3 pttt -161.26 -172.13 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.389 0.595 . . . . 0.0 111.901 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLY . . . . . 0.639 ' CA ' ' HB ' ' A' ' 57' ' ' ILE . . . -145.99 -102.31 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.077 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.494 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 20.9 tt -152.65 144.39 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.194 0.521 . . . . 0.0 111.295 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' B' ' 42' ' ' ASP . 5.3 m -95.65 133.89 39.18 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.554 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.561 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 34.8 mt -110.61 142.07 42.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.563 ' HA ' ' HG3' ' B' ' 40' ' ' LYS . 3.6 m -84.31 175.5 9.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -55.61 -39.22 70.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.848 0.356 . . . . 0.0 111.081 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.14 -59.35 4.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.197 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.799 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 2.0 mp0 -56.06 -42.85 77.29 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 111.098 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.558 ' O ' ' HG3' ' B' ' 67' ' ' MET . 8.9 t80 -64.78 -52.16 58.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.261 -173.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLN . . . . . 0.454 ' OE1' HD23 ' A' ' 75' ' ' LEU . 44.2 tp60 -64.17 -33.49 75.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.061 0.458 . . . . 0.0 110.594 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.9 m -61.17 -46.01 92.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -71.34 -29.08 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -177.573 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 75' ' ' LEU . 46.4 t -59.71 -58.99 4.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.935 0.398 . . . . 0.0 111.218 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.494 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 34.6 t70 -59.47 -43.53 93.21 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.151 0.501 . . . . 0.0 110.973 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.555 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -63.46 -50.0 71.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.937 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.511 ' HB3' HG13 ' A' ' 68' ' ' VAL . 11.0 m-85 -67.27 -26.23 66.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.535 0.207 . . . . 0.0 111.516 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 22.2 ttpp -59.14 -39.51 82.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.162 171.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.82 -35.15 7.35 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.389 -0.91 . . . . 0.0 113.267 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.71 -70.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.662 HD23 HG21 ' A' ' 68' ' ' VAL . 53.1 tp -71.67 -62.7 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.45 -42.69 58.66 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 58.0 t60 71.17 130.61 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.763 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -49.41 130.34 19.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.059 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -77.2 97.69 4.87 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.228 0.537 . . . . 0.0 111.448 -169.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -102.57 -13.79 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.783 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 55.01 167.6 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.975 1.31 . . . . 0.0 113.599 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--O 1.243 0.73 0 CA-C-O 118.356 -0.831 . . . . 0.0 109.866 178.126 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -74.85 72.78 2.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -155.08 11.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.685 172.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.3 ttm -117.75 -84.86 0.65 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.177 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 41.62 73.22 0.14 Allowed 'General case' 0 N--CA 1.466 0.364 0 O-C-N 124.033 0.833 . . . . 0.0 112.091 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 35.9 tt0 -101.2 -70.8 0.73 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.517 ' CD2' ' HG2' ' A' ' 6' ' ' GLU . 81.8 m-85 -136.03 153.65 51.29 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -86.57 149.13 25.16 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 33' ' ' SER . 36.6 p90 -154.59 154.84 33.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.152 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -158.39 146.56 18.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.569 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.555 HG12 HG22 ' A' ' 32' ' ' VAL . 59.2 mt -86.37 109.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.776 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.1 pt-20 -81.79 -43.26 18.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 8.5 tp10 -156.92 156.29 32.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.129 0.49 . . . . 0.0 111.562 -174.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -110.45 130.21 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.035 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 29' ' ' ILE . 81.5 mt -72.86 -56.07 5.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.676 0.274 . . . . 0.0 110.545 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' B' ' 67' ' ' MET . 0.9 OUTLIER -158.54 152.21 23.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 177.733 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 28' ' ' GLU . 19.9 m -89.93 128.21 36.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.55 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -87.23 -54.98 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.802 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -168.14 171.04 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.105 0.478 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -127.32 129.57 47.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.382 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -104.08 125.14 50.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.773 0.32 . . . . 0.0 111.216 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 58.45 29.96 19.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.556 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 7.5 mtpm? 57.25 87.7 0.06 Allowed 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.455 0.472 . . . . 0.0 111.354 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' C ' ' HD3' ' A' ' 48' ' ' PRO . . . 140.36 -57.38 0.6 Allowed Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.424 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -73.49 97.66 2.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -96.0 137.73 34.64 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 -173.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 37.9 ttpt -118.06 115.57 25.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.508 ' HG2' HG23 ' A' ' 17' ' ' THR . 39.4 mt-10 -137.47 169.83 17.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -175.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.563 HG22 HD12 ' A' ' 15' ' ' LEU . 57.9 mt -116.59 115.56 49.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -130.16 -178.49 4.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.899 0.381 . . . . 0.0 111.224 -173.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 31' ' ' ARG . 19.5 mtp180 -118.64 124.9 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.749 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.555 HG22 HG12 ' A' ' 11' ' ' ILE . 48.2 t -116.77 131.0 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.504 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.539 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 28.4 m -93.79 112.88 24.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.829 0.347 . . . . 0.0 110.44 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -100.51 132.1 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 72.97 -40.62 0.48 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.544 0.738 . . . . 0.0 112.181 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.14 0.03 0.66 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.985 -174.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 159.57 72.35 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -71.61 54.52 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.166 2.577 . . . . 0.0 112.847 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . 67.74 158.14 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.892 0.853 . . . . 0.0 112.972 176.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 11.8 tppt? -127.53 170.14 12.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -99.07 119.88 38.54 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.088 0.471 . . . . 0.0 110.806 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.9 122.03 41.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.499 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.55 HG22 HD13 ' B' ' 57' ' ' ILE . 56.6 mt -100.68 107.94 22.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm105 -136.42 139.75 42.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.259 0.552 . . . . 0.0 112.444 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -112.23 109.2 18.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.938 172.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -108.59 146.28 33.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.364 0.602 . . . . 0.0 111.67 -172.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.467 ' OG ' ' HD2' ' A' ' 48' ' ' PRO . 9.4 t -83.04 148.74 57.45 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.617 -178.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.467 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 9.8 Cg_endo -52.16 134.28 49.7 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.12 2.546 . . . . 0.0 112.928 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 67.53 17.47 10.0 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.641 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.9 p80 39.23 67.64 0.43 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.918 0.887 . . . . 0.0 113.147 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.0 m -127.87 -41.33 1.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.008 0.432 . . . . 0.0 110.783 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -84.04 -168.66 2.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.4 mtt -70.72 119.36 14.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.01 0.433 . . . . 0.0 111.5 -174.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -105.68 81.83 0.32 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 173.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -72.19 153.4 41.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.893 0.377 . . . . 0.0 111.236 -175.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -176.95 -175.34 44.17 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.833 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.7 tt -143.45 142.95 24.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -98.67 143.24 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.914 0.388 . . . . 0.0 111.362 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.505 HD23 ' HE3' ' B' ' 27' ' ' LYS . 57.6 mt -122.11 134.28 54.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.575 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 22.6 t -71.76 157.81 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.93 -49.02 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.585 0.231 . . . . 0.0 111.394 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.89 -41.55 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.909 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.575 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 41.8 mt-10 -62.58 -44.42 96.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.118 0.485 . . . . 0.0 110.069 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.51 ' O ' ' HG2' ' A' ' 67' ' ' MET . 25.4 t80 -58.81 -50.09 75.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.918 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.435 HE22 ' HG2' ' B' ' 76' ' ' GLU . 54.2 tp60 -59.28 -40.93 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 178.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -54.18 -51.1 65.42 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.679 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 21.9 ptt? -67.96 -37.33 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.333 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.559 HG21 HD23 ' B' ' 75' ' ' LEU . 40.3 t -59.14 -52.16 63.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.51 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -71.1 -34.41 71.09 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.885 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -65.72 -50.86 63.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.974 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.615 ' HB3' HG13 ' B' ' 68' ' ' VAL . 46.2 m-85 -74.9 -17.37 60.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.728 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 66.2 tttm -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.47 -58.2 3.39 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.041 -0.982 . . . . 0.0 112.864 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -92.72 -178.68 4.93 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.694 -0.298 . . . . 0.0 110.723 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.662 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 15.5 tp 60.6 178.59 0.1 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.639 0.776 . . . . 0.0 111.282 177.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.662 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 3.4 tm-20 71.77 -52.33 0.69 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.099 0.56 . . . . 0.0 111.216 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -120.49 83.57 2.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.592 0.71 . . . . 0.0 109.469 172.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -151.03 10.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.353 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -124.66 97.06 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.64 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -146.29 120.79 9.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.337 0.589 . . . . 0.0 110.469 172.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -75.17 139.43 42.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.525 -175.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.905 179.486 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.623 0.249 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttp 57.26 -103.31 0.18 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.087 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -171.2 129.32 0.73 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -82.7 94.97 7.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.806 0.813 . . . . 0.0 109.499 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.03 128.18 35.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.042 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.77 119.89 22.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.487 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -84.82 168.9 14.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.429 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -81.96 132.55 35.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.139 0.495 . . . . 0.0 111.6 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -136.89 119.8 16.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.857 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.82 141.31 42.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.253 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.459 HG13 HG22 ' B' ' 32' ' ' VAL . 3.4 mp -87.68 115.27 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.1 -23.84 15.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.546 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.02 133.72 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -94.98 142.51 27.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.412 HD11 ' HD2' ' B' ' 41' ' ' PHE . 92.7 mt -112.69 -69.09 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.526 HD21 ' HB1' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -134.62 128.66 33.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.993 -170.024 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -98.32 105.13 17.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.483 HD23 HD12 ' B' ' 16' ' ' LEU . 67.9 mt -72.84 -74.4 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.52 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -163.57 160.18 22.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 110.735 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.6 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 64.6 tt0 -99.2 111.48 23.86 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -80.4 126.07 30.72 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 58.64 -160.23 0.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -105.52 91.46 3.78 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.725 -0.609 . . . . 0.0 110.008 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.17 -38.42 1.47 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.145 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.56 ' HH2' ' HA ' ' B' ' 52' ' ' LYS . 21.5 m95 -94.93 87.07 4.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.272 0.536 . . . . 0.0 111.808 -171.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 19.5 m -87.58 138.4 31.51 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.455 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.505 ' HE3' HD23 ' A' ' 59' ' ' LEU . 7.1 ttpm? -118.76 124.52 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.32 171.28 17.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.122 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.534 HG12 HG12 ' B' ' 43' ' ' ILE . 54.5 mt -121.22 133.87 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.174 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -149.9 164.01 36.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -91.85 120.68 32.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 0.0 110.667 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.459 HG22 HG13 ' B' ' 11' ' ' ILE . 79.3 t -103.02 121.36 54.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 1.8 m -87.2 113.81 23.26 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.297 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -91.45 154.98 18.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.959 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -34.12 113.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.284 0.99 . . . . 0.0 112.55 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.28 -81.53 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.24 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.603 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -174.0 -51.8 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.4 Cg_endo -52.29 112.17 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.948 2.432 . . . . 0.0 113.335 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -101.71 106.97 18.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.652 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.14 163.9 13.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.571 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 16.5 m-85 -83.19 114.14 21.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.535 ' OD1' ' HG2' ' B' ' 44' ' ' ARG . 15.0 t70 -126.48 142.37 51.56 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.945 0.402 . . . . 0.0 111.236 -171.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.534 HG12 HG12 ' B' ' 29' ' ' ILE . 52.8 mt -112.64 122.17 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.403 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.624 ' HD3' ' HA3' ' B' ' 56' ' ' GLY . 16.6 mmt180 -133.6 162.05 32.98 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.304 0.573 . . . . 0.0 111.357 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.49 137.93 45.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.794 169.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -127.25 140.34 37.62 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.911 -172.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.49 -52.21 0.05 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.115 1.877 . . . . 0.0 111.268 173.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -170.73 -164.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.468 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 32.5 m170 73.34 77.15 0.14 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.719 0.637 . . . . 0.0 112.338 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 47.8 p 45.37 99.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.56 ' HA ' ' HH2' ' B' ' 25' ' ' TRP . 30.0 mmtp -70.66 99.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.449 0.642 . . . . 0.0 110.518 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 87.6 mtp -107.92 98.49 8.06 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.12 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.85 176.06 21.1 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.574 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -145.73 -170.41 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.815 0.341 . . . . 0.0 110.261 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLY . . . . . 0.624 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -134.63 169.11 23.29 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 43' ' ' ILE . 20.8 tt -146.51 138.5 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 117.121 0.46 . . . . 0.0 110.88 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.3 m -101.7 135.74 42.73 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.555 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.49 124.9 46.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.722 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -76.13 179.39 5.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.571 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 47.2 t-20 -53.85 -54.3 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 111.129 -174.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' B' ' 62' ' ' GLU . 0.9 OUTLIER -70.42 -36.39 73.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.224 -176.494 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.21 -45.8 83.3 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.247 0.546 . . . . 0.0 110.332 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.45 ' O ' ' HG3' ' B' ' 67' ' ' MET . 54.5 t80 -64.58 -47.1 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -59.16 -36.64 75.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.8 m -58.53 -51.09 71.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.273 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -68.88 -36.05 77.62 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.736 -176.599 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 71' ' ' PHE . 54.3 t -62.15 -41.04 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.243 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.02 -45.13 71.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.868 0.366 . . . . 0.0 110.582 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.23 81.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.374 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.506 ' HB3' HG22 ' A' ' 68' ' ' VAL . 23.0 m-85 -84.74 -23.64 29.19 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.102 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.728 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 25.6 ttmt -62.17 -32.9 73.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.45 45.56 1.29 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.185 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -167.06 149.16 6.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.73 0.265 . . . . 0.0 111.087 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.559 HD23 HG21 ' A' ' 68' ' ' VAL . 40.4 tp 75.5 -40.27 0.41 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.435 ' HG2' HE22 ' A' ' 65' ' ' GLN . 1.1 tm-20 -69.41 89.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.281 0.563 . . . . 0.0 111.583 -173.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -150.02 98.87 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.393 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.19 -46.32 13.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.37 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -134.65 154.61 51.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.596 0.236 . . . . 0.0 110.486 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -108.71 131.27 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -129.13 92.0 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.395 0.617 . . . . 0.0 111.976 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 4.7 p80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.417 -0.802 . . . . 0.0 109.885 175.019 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -101.01 169.77 8.73 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.51 -53.16 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.055 0.455 . . . . 0.0 110.324 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.0 mtp -129.21 130.8 46.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.622 -176.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.3 135.85 35.73 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.32 88.23 4.97 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' HB2' HD21 ' A' ' 35' ' ' ASN . 71.3 m-85 -84.06 -65.31 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.594 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' HA ' ' A' ' 35' ' ' ASN . 3.2 t -112.47 133.94 54.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.773 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -140.66 130.17 24.03 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.58 148.68 47.65 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.121 0.486 . . . . 0.0 111.149 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.0 mt -93.27 122.96 45.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.78 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -88.38 -42.88 11.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.867 0.365 . . . . 0.0 110.507 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.83 152.73 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.002 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.84 141.12 44.64 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -79.73 -61.96 1.83 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.047 0.451 . . . . 0.0 110.576 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 1.2 pt? -159.58 154.61 24.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.651 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 21.9 m -98.94 138.86 35.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.667 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 77.8 mt -98.09 -69.42 0.76 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -172.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -155.33 175.05 14.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.789 0.328 . . . . 0.0 111.226 -174.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 13.1 pt-20 -134.17 145.94 49.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.68 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.662 ' HB3' ' HB2' ' A' ' 25' ' ' TRP . 67.3 t30 -115.39 143.23 45.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.751 177.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 45.24 26.58 0.27 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.21 1.004 . . . . 0.0 112.765 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 56.94 22.78 7.52 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.826 0.45 . . . . 0.0 111.838 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.63 -32.15 0.26 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.671 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.662 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 11.3 m0 -91.06 97.0 10.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -87.8 136.69 32.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.701 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HD3' HD11 ' B' ' 57' ' ' ILE . 14.9 ttpp -130.92 127.85 39.32 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.101 -0.375 . . . . 0.0 110.582 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.651 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 17.1 pt-20 -160.55 -174.23 4.36 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.27 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.523 HG12 HG23 ' A' ' 43' ' ' ILE . 42.1 mt -123.29 125.97 72.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.269 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -142.14 169.01 18.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.966 0.412 . . . . 0.0 110.942 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.647 ' HD3' ' HB1' ' A' ' 39' ' ' ALA . 67.2 mtt-85 -89.53 131.48 35.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.28 129.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.607 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 66.7 m -109.62 119.01 38.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.86 120.08 39.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.696 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.417 ' HA ' HG23 ' A' ' 8' ' ' THR . 9.8 m120 51.86 31.07 7.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.289 0.566 . . . . 0.0 112.196 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.607 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . 167.49 -159.78 33.2 Favored Glycine 0 CA--C 1.503 -0.716 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 33' ' ' SER . . . -133.98 69.43 74.91 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 117.929 0.865 . . . . 0.0 111.995 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 1.2 Cg_endo -85.18 -22.12 2.82 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.749 2.299 . . . . 0.0 110.589 168.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.647 ' HB1' ' HD3' ' A' ' 31' ' ' ARG . . . 47.84 63.96 1.82 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 114.581 -1.19 . . . . 0.0 112.234 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -82.28 160.26 22.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -89.21 120.16 30.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -114.67 131.46 56.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.923 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.523 HG23 HG12 ' A' ' 29' ' ' ILE . 39.5 mt -115.3 112.94 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' B' ' 57' ' ' ILE . 16.9 ptp180 -155.8 171.61 19.75 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.251 -177.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.64 143.66 33.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.03 174.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -108.48 125.68 52.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 t -125.22 155.72 70.85 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.333 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.16 109.66 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.214 1.943 . . . . 0.0 111.074 172.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -69.3 88.18 0.45 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.406 -171.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -144.48 -77.44 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.008 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.2 t -111.45 -16.28 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.435 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HD2' ' HZ2' ' A' ' 25' ' ' TRP . 51.8 pttt -135.99 149.25 48.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.888 0.375 . . . . 0.0 110.766 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.1 mtt -133.65 157.85 44.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.496 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.49 141.25 18.79 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.255 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.44 160.82 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -178.33 -179.89 48.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.116 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.1 tt -157.03 135.14 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.01 0.433 . . . . 0.0 110.552 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -88.98 132.62 34.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.065 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' B' ' 27' ' ' LYS . 60.0 mt -114.01 146.03 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.8 p -86.93 171.83 10.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -59.17 -40.43 85.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.497 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 1.5 mp0 -58.94 -55.62 32.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.502 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.72 -45.21 90.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.038 -175.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.574 ' O ' ' HG2' ' A' ' 67' ' ' MET . 13.7 t80 -63.43 -47.66 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.819 -175.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -62.19 -39.02 91.32 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.8 m -54.91 -51.08 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.346 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.5 ptt? -64.52 -30.75 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.39 -177.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 64' ' ' PHE . 77.6 t -59.63 -51.73 69.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.614 0.245 . . . . 0.0 111.376 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -41.54 86.55 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.185 0.517 . . . . 0.0 110.92 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.643 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -65.22 -49.24 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.57 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 74' ' ' ASN . 19.4 m-30 -64.45 -25.79 68.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.613 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HD2' ' OE1' ' B' ' 76' ' ' GLU . 85.5 tttt -59.75 -46.57 88.73 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.49 28.14 6.55 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.154 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.481 ' HB2' ' HA ' ' A' ' 71' ' ' PHE . 3.6 m-80 -137.19 -51.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.602 0.239 . . . . 0.0 111.592 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 HG21 ' B' ' 68' ' ' VAL . 49.1 tp -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -167.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' HA ' HE22 ' B' ' 65' ' ' GLN . 8.3 pt-20 -160.42 155.26 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -99.47 -80.46 0.47 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.891 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 58.44 25.57 13.12 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.003 0.43 . . . . 0.0 110.585 177.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 63.45 100.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.211 -173.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.32 154.82 18.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -176.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -120.92 -171.59 2.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.1 p80 . . . . . 0 C--O 1.248 0.975 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.937 173.449 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.766 ' HD3' ' HE2' ' B' ' 7' ' ' PHE . 41.8 mtpt -74.15 145.77 44.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.917 0.389 . . . . 0.0 111.07 -172.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.566 ' HG3' ' HG2' ' B' ' 4' ' ' MET . 19.1 ptpt -102.63 -35.26 8.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.322 -174.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.566 ' HG2' ' HG3' ' B' ' 3' ' ' LYS . 25.5 mmt -94.8 15.63 17.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.267 0.556 . . . . 0.0 111.111 -175.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.9 94.46 1.97 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.373 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -81.52 75.01 8.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.024 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.766 ' HE2' ' HD3' ' B' ' 2' ' ' LYS . 84.1 m-85 -58.63 -78.06 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.3 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m -126.31 126.34 43.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.071 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.48 ' HB2' HG11 ' B' ' 32' ' ' VAL . 26.2 p90 -108.03 119.37 39.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.758 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.516 ' HB2' ' OG ' ' B' ' 33' ' ' SER . 14.0 mm-40 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -176.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.45 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.6 mp -80.55 108.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.647 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 22.8 mm-40 -85.66 -46.22 10.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.528 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -162.82 152.54 15.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.186 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.456 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 14.3 p80 -107.53 131.65 54.1 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.715 171.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.927 HD23 HG22 ' B' ' 29' ' ' ILE . 2.9 mm? -60.73 -62.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.643 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -172.53 153.59 2.9 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 175.496 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.84 HG23 ' HG2' ' B' ' 28' ' ' GLU . 35.3 m -83.31 122.14 28.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.479 HD11 HD11 ' B' ' 29' ' ' ILE . 66.5 mt -71.76 -71.46 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.501 0.191 . . . . 0.0 111.008 -176.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -163.06 162.6 25.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.26 123.73 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.236 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -95.2 152.96 17.9 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.1 mp0 -53.08 156.39 2.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.481 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' B' ' 22' ' ' GLU . 68.5 mttm 77.37 6.9 2.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.359 -173.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.64 75.22 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.173 174.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.434 ' CZ2' ' HB3' ' B' ' 47' ' ' SER . 33.3 m95 -80.21 102.96 9.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.283 0.563 . . . . 0.0 110.223 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -88.91 137.7 32.08 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.292 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 59' ' ' LEU . 39.2 ttmt -113.36 116.03 29.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.84 ' HG2' HG23 ' B' ' 17' ' ' THR . 46.4 mt-10 -131.63 170.13 15.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.877 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.927 HG22 HD23 ' B' ' 15' ' ' LEU . 41.4 mt -131.02 129.3 63.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.242 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.456 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.3 OUTLIER -149.08 169.28 21.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.448 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 82.4 mtp180 -108.28 121.56 45.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.967 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' B' ' 9' ' ' PHE . 39.5 t -121.99 135.02 63.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 -177.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.516 ' OG ' ' HB2' ' B' ' 10' ' ' GLU . 7.0 p -93.85 135.09 35.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -111.04 101.98 10.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.965 -176.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.5 ' HB3' ' HB2' ' B' ' 7' ' ' PHE . 5.2 p30 41.75 52.11 4.05 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.301 1.001 . . . . 0.0 111.189 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.99 -164.96 13.17 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.386 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.517 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.81 165.0 0.12 Allowed Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 122.805 0.442 . . . . 0.0 111.59 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 29.6 Cg_endo -64.31 158.29 49.63 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.109 1.872 . . . . 0.0 111.748 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -69.19 110.62 4.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.041 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.7 mttt -81.1 152.54 27.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.469 ' HZ ' HD11 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -95.73 128.91 43.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.137 -175.639 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -133.57 149.0 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.202 0.525 . . . . 0.0 111.086 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.687 HG23 HG12 ' B' ' 29' ' ' ILE . 19.9 mt -110.9 109.83 29.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 ptm85 -123.88 161.83 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -166.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' B' ' 55' ' ' LYS . . . -136.76 106.77 6.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.394 175.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' TRP . . . . . 0.435 ' HE3' ' O ' ' B' ' 47' ' ' SER . 56.6 p-90 -108.24 144.09 36.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.386 0.613 . . . . 0.0 111.949 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.435 ' O ' ' HE3' ' B' ' 46' ' ' TRP . 7.3 p -74.43 157.51 86.26 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.211 177.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.05 -43.59 51.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.771 2.314 . . . . 0.0 111.692 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -106.88 142.1 37.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -81.76 16.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.805 0.336 . . . . 0.0 111.347 -174.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.2 m -72.33 -31.75 65.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.324 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.47 ' HE2' ' HB3' ' B' ' 52' ' ' LYS . 32.2 mtpt -94.11 166.59 12.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.324 0.583 . . . . 0.0 111.882 -175.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 86.6 mtp -75.51 107.23 7.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.021 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.45 147.64 42.57 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.006 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' B' ' 45' ' ' ALA . 34.4 mmtp -95.44 166.67 11.75 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.12 163.78 12.41 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.973 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 44' ' ' ARG . 10.9 tt -133.38 134.15 57.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -100.68 132.04 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.846 0.355 . . . . 0.0 110.65 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.452 ' HB2' ' CD2' ' B' ' 41' ' ' PHE . 4.7 mp -126.5 168.11 14.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.907 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -94.76 172.57 8.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.985 0.421 . . . . 0.0 110.575 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -73.46 -33.9 65.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.876 -173.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.48 -58.7 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.467 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 12.5 pt-20 -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.421 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.614 ' O ' HG23 ' B' ' 68' ' ' VAL . 2.1 t80 -56.36 -52.01 66.17 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLN . . . . . 0.498 HE22 ' HA ' ' A' ' 76' ' ' GLU . 5.7 tp60 -65.69 -37.21 85.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.433 ' HB ' ' HA ' ' B' ' 63' ' ' GLU . 79.4 m -52.97 -50.03 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.266 176.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.442 ' HA ' HD11 ' A' ' 16' ' ' LEU . 13.6 ptt? -74.47 -38.44 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.174 -176.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 64' ' ' PHE . 84.3 t -53.68 -48.5 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.558 0.218 . . . . 0.0 110.418 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.95 -43.95 91.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.153 0.502 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.35 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -89.8 -0.84 57.8 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.968 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 1.3 mmpm? -75.29 -30.09 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 165.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.57 -51.36 3.69 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.38 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' B' ' 75' ' ' LEU . 64.3 t30 -97.88 144.41 27.48 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.466 ' HB3' ' H ' ' B' ' 76' ' ' GLU . 5.1 mp 67.56 -161.46 0.22 Allowed 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.017 0.527 . . . . 0.0 110.128 -172.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.553 ' OE1' ' HD2' ' A' ' 72' ' ' LYS . 31.4 tt0 72.35 -61.91 0.48 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.897 0.748 . . . . 0.0 110.286 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -99.18 107.54 19.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.724 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.11 173.04 11.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.252 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -90.93 94.92 9.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.711 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -135.94 -67.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.41 0.624 . . . . 0.0 109.507 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -173.5 114.29 0.23 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.56 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.316 -175.789 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -95.9 103.13 15.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 172.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -91.81 137.98 31.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.104 -171.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ttt -90.0 -36.4 14.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.187 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.81 91.68 7.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.896 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -73.88 -58.29 3.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.978 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -76.8 113.66 14.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.656 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.5 m -97.21 117.27 31.04 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.749 -176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -105.05 119.93 40.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 33' ' ' SER . 8.6 pt-20 -108.0 119.99 41.04 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.295 0.569 . . . . 0.0 111.443 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.549 ' HA ' HG22 ' A' ' 32' ' ' VAL . 4.2 mp -85.65 91.4 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -90.19 -30.66 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.666 -173.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CD ' HH21 ' A' ' 31' ' ' ARG . 36.2 tt0 -142.9 128.19 18.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.966 0.412 . . . . 0.0 111.296 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -92.76 101.63 14.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.03 -54.85 35.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 112.075 -173.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.8 OUTLIER -149.5 114.71 5.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -172.08 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m -88.83 102.52 15.11 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' B' ' 63' ' ' GLU . 92.0 mt -74.1 -74.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -157.68 151.66 24.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.228 0.537 . . . . 0.0 111.649 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 0.6 OUTLIER -89.06 115.94 26.98 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.111 170.539 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.57 165.02 12.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.492 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 65.13 -71.34 0.08 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.922 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . 36.6 ttmt -168.98 -61.28 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.12 17.28 7.11 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.905 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.463 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 65.9 m95 -97.86 101.62 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.857 0.361 . . . . 0.0 110.465 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 22.8 m -86.57 137.71 32.29 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.053 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -114.42 115.84 27.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.567 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -148.67 154.38 39.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.1 -171.778 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.567 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 62.1 mt -100.03 123.39 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.951 176.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -123.46 166.8 14.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.23 0.538 . . . . 0.0 111.435 -174.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 53.6 ttp85 -122.82 107.16 11.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.093 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 11' ' ' ILE . 69.9 t -122.65 136.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.821 -170.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 10' ' ' GLU . 48.4 t -88.0 118.45 27.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.03 82.34 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.5 t30 53.31 26.07 4.98 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.268 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.92 174.49 25.81 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.033 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 71.05 153.12 0.14 Allowed Pre-proline 0 N--CA 1.467 0.393 0 C-N-CA 123.229 0.611 . . . . 0.0 111.12 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.16 40.11 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.104 2.536 . . . . 0.0 113.316 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HB1' ' HG2' ' A' ' 31' ' ' ARG . . . 67.81 114.43 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.47 0.708 . . . . 0.0 111.52 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 32.6 mmtp -95.12 178.7 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.468 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -99.03 129.55 45.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.55 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 33.7 t70 -135.14 130.31 35.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.992 0.425 . . . . 0.0 110.404 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.58 HG22 HD13 ' B' ' 57' ' ' ILE . 54.7 mt -107.95 104.6 17.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.55 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 10.2 ttp180 -136.49 169.74 17.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.463 0.649 . . . . 0.0 111.977 -170.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.88 146.56 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.055 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 84.7 m95 -115.81 133.67 55.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.324 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 p -81.4 166.35 38.77 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.483 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.0 65.38 0.97 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.481 2.121 . . . . 0.0 111.092 170.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t70 66.89 -171.29 0.19 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.533 -173.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 66.42 109.99 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.958 0.503 . . . . 0.0 110.207 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -46.92 109.28 0.19 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.868 0.842 . . . . 0.0 112.422 -175.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -153.11 150.68 29.35 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.501 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.48 175.77 9.33 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.99 -107.38 0.23 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.216 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -71.14 119.78 15.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.108 0.48 . . . . 0.0 110.379 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 173.12 156.77 13.41 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.577 -176.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' B' ' 55' ' ' LYS . 10.9 tt -156.14 139.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 111.64 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.5 133.74 35.63 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.302 0.573 . . . . 0.0 111.225 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.8 mt -119.28 143.38 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.024 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 t -93.6 -173.25 3.13 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.24 -35.64 81.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.854 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.87 -57.97 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.251 -176.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.612 ' HG3' ' HB3' ' B' ' 19' ' ' SER . 1.8 mp0 -56.43 -44.32 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 0.0 111.057 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.5 t80 -61.84 -53.4 56.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.729 -175.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.672 ' HG2' HD23 ' B' ' 75' ' ' LEU . 3.6 mm-40 -64.38 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.394 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -61.22 -49.45 77.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 24.7 ptt? -61.95 -41.31 97.84 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.61 0.243 . . . . 0.0 110.463 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 89.7 t -54.5 -53.07 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.9 -48.67 77.96 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.049 0.452 . . . . 0.0 111.31 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.511 ' CB ' HD13 ' B' ' 16' ' ' LEU . . . -62.97 -36.25 82.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.898 -176.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 17.9 m-85 -72.8 -24.7 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.357 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 26.0 mmtp -66.92 -32.28 73.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.515 0.674 . . . . 0.0 109.433 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.02 26.2 25.37 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.636 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.09 -67.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HG21 ' B' ' 68' ' ' VAL . 12.2 tp -88.53 -16.93 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.936 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 9.9 tp10 -69.23 103.48 1.95 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 110.394 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -139.17 117.45 11.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.64 -77.8 0.24 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.487 -176.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -165.42 148.98 8.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.191 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -133.96 78.77 1.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 171.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -78.45 132.11 37.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.898 -173.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 78.2 m80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.345 173.144 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.4 mtt . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.022 0.439 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -124.98 103.86 8.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -103.91 116.8 32.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.306 0.574 . . . . 0.0 111.788 -172.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.37 -169.94 2.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.308 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.39 73.86 9.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.099 0.476 . . . . 0.0 110.798 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -126.28 -176.48 3.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.387 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -123.04 170.48 10.12 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.806 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -96.94 161.28 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.986 0.422 . . . . 0.0 111.006 -172.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -117.73 139.43 51.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.98 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.05 116.95 26.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.765 0.317 . . . . 0.0 110.632 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.602 HG12 HG22 ' B' ' 32' ' ' VAL . 37.7 mt -83.34 93.03 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.92 -27.14 25.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.59 143.95 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 111.024 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -117.66 114.55 23.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.57 HD12 HG22 ' B' ' 29' ' ' ILE . 29.7 mt -68.38 -58.25 4.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.993 -175.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.511 HD13 ' CB ' ' A' ' 70' ' ' ALA . 1.1 pt? -167.88 140.67 3.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.115 0.483 . . . . 0.0 110.801 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.635 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 21.5 m -80.04 123.54 27.93 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 169.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 63' ' ' GLU . 78.9 mt -78.06 -71.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.873 0.368 . . . . 0.0 111.417 -171.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.612 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 35.0 t -158.27 159.16 35.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.185 -176.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -112.48 111.44 22.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -90.64 177.13 6.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.979 -174.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.0 mp0 -50.78 146.92 5.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.81 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.588 ' HB2' ' HD1' ' B' ' 25' ' ' TRP . 34.7 mmtp 76.38 -5.94 2.09 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.206 0.942 . . . . 0.0 111.371 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.07 24.89 15.61 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.804 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.588 ' HD1' ' HB2' ' B' ' 23' ' ' LYS . 55.3 m95 -83.16 106.08 14.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' B' ' 46' ' ' TRP . 8.8 m -87.04 139.18 30.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.548 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -113.24 123.19 49.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.635 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 39.2 tt0 -142.98 147.56 35.37 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.389 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.57 HG22 HD12 ' B' ' 15' ' ' LEU . 55.4 mt -114.74 114.35 46.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.432 174.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -134.36 175.87 9.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.287 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -116.22 121.14 41.18 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.602 HG22 HG12 ' B' ' 11' ' ' ILE . 16.0 t -124.26 134.52 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.546 -171.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.5 t -100.04 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.9 110.79 22.15 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.152 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 38.4 t30 69.58 -57.84 0.53 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.795 0.685 . . . . 0.0 110.853 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.73 -158.99 15.63 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 70.73 165.99 0.13 Allowed Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.595 0.358 . . . . 0.0 111.228 177.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 70.9 Cg_exo -49.15 125.22 12.97 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.733 2.289 . . . . 0.0 112.553 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.51 126.02 25.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.54 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -102.39 169.49 8.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.561 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 43.1 m-85 -90.02 122.67 33.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.284 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.52 119.35 34.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.509 ' O ' ' HA2' ' B' ' 56' ' ' GLY . 53.6 mt -104.15 105.19 18.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -135.24 172.71 12.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 0.0 111.803 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.8 147.29 38.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.132 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' TRP . . . . . 0.482 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 91.6 m95 -107.73 134.19 51.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 -179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 7.4 m -93.08 150.07 38.6 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 -177.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 47' ' ' SER . 4.0 Cg_exo -75.65 41.16 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.361 2.707 . . . . 0.0 111.598 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.44 ' OD1' ' HE2' ' B' ' 52' ' ' LYS . 8.7 m-20 -150.19 -165.93 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.867 -176.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -81.53 44.17 0.79 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 65.2 m 69.58 104.78 0.06 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.936 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.44 ' HE2' ' OD1' ' B' ' 49' ' ' ASP . 67.6 mttm -77.34 -68.09 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 171.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 63.2 ttp 178.4 -63.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.686 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.14 -135.85 24.61 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.793 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 99.1 mttt -136.07 160.17 39.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' B' ' 43' ' ' ILE . . . 178.62 149.7 8.32 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.023 -177.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 43' ' ' ILE . 14.9 tt -145.02 140.58 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.1 p -96.32 126.81 41.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.176 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.8 mt -115.38 145.53 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.516 ' HB2' ' OE2' ' B' ' 63' ' ' GLU . 1.4 m -94.48 177.27 5.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.265 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.561 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 15.3 m120 -53.51 -44.31 69.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.398 -176.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.22 -50.05 20.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.527 ' HB3' HD13 ' A' ' 18' ' ' LEU . 1.7 mp0 -59.8 -35.75 75.32 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.981 0.42 . . . . 0.0 110.406 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.563 ' O ' ' HG2' ' B' ' 67' ' ' MET . 2.4 t80 -67.37 -48.15 68.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.733 -176.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.3 m -53.35 -44.99 68.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.441 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 14.8 ptt? -70.35 -31.63 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.966 -176.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 64' ' ' PHE . 94.8 t -57.88 -51.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.475 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' B' ' 72' ' ' LYS . 1.1 m-20 -62.45 -52.11 64.82 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.191 0.52 . . . . 0.0 111.577 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.556 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -62.44 -36.59 82.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.495 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -79.84 -4.59 52.84 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.437 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.641 ' HE2' ' HD2' ' A' ' 72' ' ' LYS . 15.1 ttmm -77.91 -28.16 49.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 164.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.56 -57.44 16.45 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.797 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -82.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 65' ' ' GLN . 5.9 mp -76.07 158.72 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.181 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.615 ' HB2' ' O ' ' B' ' 75' ' ' LEU . 20.9 tt0 167.63 -45.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 170.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.543 ' HB2' HE22 ' A' ' 65' ' ' GLN . 8.1 t60 63.32 46.09 4.63 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.145 174.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -83.88 27.34 0.65 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.696 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -110.69 172.45 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -110.63 111.01 21.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.485 0.659 . . . . 0.0 109.626 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -77.83 -29.65 50.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.287 177.61 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.447 -0.576 0 CA-C-O 121.149 0.5 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -106.29 126.5 52.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.562 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -142.57 133.44 25.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.546 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.0 mt -90.14 99.78 10.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.054 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.87 -20.59 30.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.998 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -139.94 115.43 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.204 0.526 . . . . 0.0 111.352 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -95.08 109.36 21.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.086 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 HG22 ' A' ' 29' ' ' ILE . 96.9 mt -66.55 -69.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.662 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.5 pt? -165.35 152.06 10.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.672 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 37.9 m -88.06 128.03 35.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.464 171.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -76.44 -64.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -156.27 160.09 39.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.093 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -111.99 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -87.86 144.11 26.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.507 -169.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG3' ' HG2' ' A' ' 23' ' ' LYS . 9.7 tp10 61.54 -91.53 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.073 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HG2' ' HG3' ' A' ' 22' ' ' GLU . 14.0 pttm -176.36 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.367 0.667 . . . . 0.0 109.632 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.68 -12.98 6.19 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.877 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -93.25 83.1 4.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.848 0.356 . . . . 0.0 110.342 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 m -85.84 136.68 33.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -130.01 117.55 20.22 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.672 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 17.9 pt-20 -148.9 174.81 11.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.28 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.58 HG22 HD12 ' A' ' 15' ' ' LEU . 40.9 mt -121.53 130.47 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.743 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.453 ' C ' HD22 ' A' ' 30' ' ' ASN . 0.3 OUTLIER -146.03 168.38 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.784 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 31.6 mtm180 -105.77 123.16 47.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.966 0.412 . . . . 0.0 110.566 175.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 49.4 t -101.28 126.78 55.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 1.8 m -89.68 108.33 19.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.948 178.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 96.6 m-85 -88.23 114.14 24.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 49.0 m-80 78.11 -38.21 0.24 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.047 0.842 . . . . 0.0 110.991 -175.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.52 -65.37 0.33 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.754 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -69.3 -52.85 14.41 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -72.31 87.62 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.397 2.065 . . . . 0.0 112.478 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -107.85 102.26 11.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.879 176.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -116.64 179.32 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.01 -177.064 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.454 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 38.3 m-85 -82.19 135.71 35.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.349 -169.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 21.5 t70 -137.47 126.56 24.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.078 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.401 HG23 HG12 ' A' ' 29' ' ' ILE . 52.6 mt -104.02 107.34 22.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.562 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 12.1 ttm-85 -133.73 144.53 49.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.184 0.516 . . . . 0.0 111.798 -169.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.0 134.02 47.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.557 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -107.49 143.86 35.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -177.666 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' A' ' 44' ' ' ARG . . . 81.54 103.85 0.37 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.495 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.532 ' HB ' ' O ' ' B' ' 55' ' ' LYS . 13.7 tt -120.79 128.93 76.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.325 0.583 . . . . 0.0 111.042 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.3 m -93.51 134.73 35.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.582 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.2 mt -117.83 144.94 44.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.6 p -83.55 164.08 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.802 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.454 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 8.2 t30 -56.45 -45.19 80.96 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.795 -176.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.77 -49.78 73.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.361 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.647 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.477 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 23.3 t80 -67.66 -44.81 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.42 -37.64 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.294 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.2 m -58.69 -53.18 61.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.491 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -64.6 -38.15 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.58 HG21 HD23 ' B' ' 75' ' ' LEU . 79.4 t -61.7 -42.68 95.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.121 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.64 -49.5 77.28 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.0 -45.16 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.673 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.515 ' HB3' HG13 ' B' ' 68' ' ' VAL . 18.5 m-85 -71.79 -24.86 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.314 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.965 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 83.6 tttt -69.56 -33.57 72.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.71 -4.97 87.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.913 -176.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -155.54 -161.27 1.14 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.657 0.728 . . . . 0.0 110.886 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.518 ' CD2' HG21 ' B' ' 68' ' ' VAL . 29.9 tp 71.14 -32.15 0.24 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.67 1.188 . . . . 0.0 113.036 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.483 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -110.36 138.67 46.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.735 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 149.16 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.614 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.2 106.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.253 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -60.1 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.836 -177.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -135.16 131.19 36.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.5 117.44 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' B' ' 29' ' ' ILE . 68.5 mt -94.32 -71.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.108 -177.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 69.0 mt -132.54 137.88 47.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.0 m -106.08 100.75 10.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 171.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.08 -67.74 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.149 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -172.06 155.76 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -106.5 120.52 42.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -114.96 172.31 7.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.387 -168.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 52.78 -111.01 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.853 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -135.38 89.13 2.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 7.46 88.44 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.853 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -85.11 97.98 10.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -87.44 136.69 32.84 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.997 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -129.56 120.8 25.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.962 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 4.1 pt-20 -147.97 -175.76 5.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.145 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 65.7 mt -130.97 118.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.467 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -147.63 179.07 7.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 46.5 mtm180 -107.28 121.11 43.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.515 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 42.7 t -106.18 132.46 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.4 p -97.21 133.96 41.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.479 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.54 98.23 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 62.13 90.86 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.271 0.558 . . . . 0.0 111.622 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . 0.533 ' C ' ' HD3' ' B' ' 38' ' ' PRO . . . 101.82 -140.13 14.73 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -176.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.614 ' N ' ' HD3' ' B' ' 38' ' ' PRO . . . -126.5 50.58 5.06 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.614 ' HD3' ' N ' ' B' ' 37' ' ' ALA . 20.0 Cg_endo -95.5 52.58 0.19 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.922 2.415 . . . . 0.0 110.706 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' B' ' 32' ' ' VAL . . . -71.34 104.49 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.613 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 32.4 mmtp -101.42 171.56 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.443 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -83.5 116.43 22.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.236 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -116.14 115.96 26.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -176.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.66 103.62 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.562 ' CB ' ' HA3' ' B' ' 56' ' ' GLY . 21.9 ttm105 -147.08 148.69 31.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.429 0.633 . . . . 0.0 112.452 -169.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.19 132.88 35.81 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.898 -1.047 . . . . 0.0 108.79 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -107.24 132.98 52.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 120.984 0.421 . . . . 0.0 110.012 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.509 -176.637 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.532 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 24.5 mmmt . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.712 0.291 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . 0.562 ' HA3' ' CB ' ' B' ' 44' ' ' ARG . . . -56.49 147.15 32.63 Favored Glycine 0 CA--C 1.517 0.157 0 CA-C-N 115.999 -0.546 . . . . 0.0 114.255 -173.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 19.1 tt -123.07 140.3 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.07 0.462 . . . . 0.0 110.511 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -99.4 134.71 41.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.6 mt -123.88 141.59 51.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.527 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.448 ' HA ' ' HD2' ' B' ' 40' ' ' LYS . 11.3 t -83.48 166.71 18.09 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -57.44 -43.85 84.23 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.94 -49.51 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.655 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.95 -40.97 83.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.383 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.412 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 17.8 t80 -62.56 -48.54 79.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.532 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.413 HE22 ' HG ' ' A' ' 75' ' ' LEU . 8.5 tp-100 -59.86 -36.99 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.4 m -57.61 -52.64 64.58 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.342 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.572 ' HA ' HD11 ' A' ' 16' ' ' LEU . 13.0 ptt? -63.68 -37.62 88.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.933 0.397 . . . . 0.0 110.387 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.518 HG21 ' CD2' ' A' ' 75' ' ' LEU . 49.2 t -64.61 -45.09 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.568 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.89 -41.18 97.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.441 . . . . 0.0 110.68 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.51 -53.53 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.05 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.4 m-85 -67.93 -30.17 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.693 0.282 . . . . 0.0 110.721 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.965 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 21.4 ttmm -54.71 -42.79 71.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.818 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.25 -14.49 41.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.383 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -100.42 -71.36 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -174.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.58 HD23 HG21 ' A' ' 68' ' ' VAL . 29.5 tp -67.39 -42.72 82.85 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -169.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.91 118.62 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.205 0.526 . . . . 0.0 110.112 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 10.8 mm-40 -108.91 119.78 40.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.763 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.77 96.27 6.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -101.89 -35.91 8.84 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -127.33 122.83 34.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 0.0 112.484 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -93.99 111.74 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.347 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 29' ' ' ILE . 94.8 mt -71.34 -53.81 12.91 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.57 145.33 1.2 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.53 170.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.879 HG23 ' HG2' ' A' ' 28' ' ' GLU . 89.3 m -89.95 119.6 30.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.46 173.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.62 -73.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.811 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.459 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 74.4 m -164.35 159.43 19.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.323 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 45.9 tt0 -90.14 103.7 16.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 167.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 22' ' ' GLU . 2.7 t-20 -82.61 123.29 29.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.147 0.499 . . . . 0.0 111.747 -168.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' HG2' ' ND2' ' A' ' 21' ' ' ASN . 31.7 mm-40 43.01 -88.06 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.288 1.435 . . . . 0.0 114.424 171.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -89.18 23.92 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -172.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.86 3.1 62.39 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.201 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -76.96 110.3 11.48 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -85.62 137.41 32.87 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.171 0.51 . . . . 0.0 111.022 -173.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HG2' ' CD2' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -113.52 116.12 29.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.414 176.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.879 ' HG2' HG23 ' A' ' 17' ' ' THR . 31.8 mt-10 -132.66 146.99 52.32 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.667 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.534 HG22 HD12 ' A' ' 15' ' ' LEU . 58.4 mt -111.95 118.89 58.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -137.9 178.57 7.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.987 0.422 . . . . 0.0 110.763 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.26 158.61 22.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 21.4 t -145.61 124.55 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 123.171 0.294 . . . . 0.0 111.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 68.4 m -79.95 130.87 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.881 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 94.2 m-85 -114.67 155.71 26.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.602 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.73 105.23 0.24 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.155 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.31 63.11 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 34' ' ' PHE . . . -146.98 138.65 13.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.661 0.231 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.59 166.18 22.84 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.404 2.069 . . . . 0.0 111.904 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -66.26 95.43 0.3 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 111.043 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -95.24 175.23 6.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.89 142.61 27.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.105 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -138.08 124.94 21.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.482 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.588 HG22 HD13 ' B' ' 57' ' ' ILE . 36.3 mm -91.07 107.11 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 174.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -110.8 122.12 47.05 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -163.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.64 111.96 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.063 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -123.79 147.25 47.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.142 0.496 . . . . 0.0 111.014 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.208 -177.811 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 32.1 mmtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.041 0.448 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' B' ' 55' ' ' LYS . . . -60.3 139.6 48.21 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.123 177.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 tt -126.21 135.2 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.07 0.462 . . . . 0.0 111.253 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.7 p -84.17 142.53 30.27 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.574 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.1 mt -124.54 138.55 54.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.112 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -84.72 172.58 11.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.56 -49.61 75.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.268 . . . . 0.0 110.759 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.94 -54.49 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.234 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 31.9 mt-10 -65.88 -45.35 82.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.125 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HD2' HD22 ' B' ' 75' ' ' LEU . 17.2 t80 -67.2 -43.71 81.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.972 -175.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.11 -41.05 97.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.489 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.8 m -57.84 -45.75 85.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.493 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.533 ' HG3' ' HE2' ' A' ' 71' ' ' PHE . 58.6 ttp -55.93 -54.34 45.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.1 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.578 HG13 ' HB3' ' B' ' 71' ' ' PHE . 65.0 t -55.03 -58.99 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.813 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -70.84 -30.09 66.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.506 -171.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -56.75 16.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.548 ' HB3' HG22 ' B' ' 68' ' ' VAL . 55.0 m-85 -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.077 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.615 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 86.7 tttt -54.09 -41.35 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 176.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.13 -28.14 11.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.174 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -86.97 -66.13 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.82 HD23 HG21 ' B' ' 68' ' ' VAL . 34.9 tp -68.63 -37.67 79.9 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.508 -172.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HG2' ' HE2' ' B' ' 72' ' ' LYS . 7.5 tp10 . . . . . 0 C--N 1.324 -0.521 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.462 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' B' ' 33' ' ' SER . 19.5 p90 -103.95 126.33 50.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -129.23 147.59 51.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.505 HG12 HG22 ' B' ' 32' ' ' VAL . 72.1 mt -90.27 110.63 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.447 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -80.0 -53.66 6.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.009 0.433 . . . . 0.0 110.841 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.24 128.64 53.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.486 -173.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -95.23 90.7 5.96 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.173 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.549 HD12 HG22 ' B' ' 29' ' ' ILE . 93.0 mt -55.53 -76.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.488 0.492 . . . . 0.0 112.147 -172.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.29 155.64 29.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.526 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.705 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 47.7 m -92.26 133.1 36.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.065 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' B' ' 28' ' ' GLU . 84.5 mt -85.62 -47.6 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.124 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.471 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 4.5 t -163.84 154.09 15.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.616 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -128.63 125.3 37.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.805 0.336 . . . . 0.0 110.55 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.01 150.1 36.37 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 64.61 -96.87 0.05 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.045 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -166.34 22.7 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.46 -23.03 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.095 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -80.45 81.5 6.69 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 26.3 m -109.39 137.89 46.57 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.533 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -115.58 124.05 49.99 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.705 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 16.2 pt-20 -161.44 -174.77 4.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.885 0.374 . . . . 0.0 111.408 -174.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.549 HG22 HD12 ' B' ' 15' ' ' LEU . 42.1 mt -126.81 133.47 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.039 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.32 174.82 10.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.05 -176.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -111.87 131.77 55.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.505 HG22 HG12 ' B' ' 11' ' ' ILE . 59.4 t -127.0 133.5 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.429 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 69.6 m -106.4 135.64 47.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -102.46 97.39 7.63 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 69.94 -56.29 0.58 Allowed 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.912 0.757 . . . . 0.0 110.815 -172.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.04 -152.74 6.93 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 71.38 164.52 0.14 Allowed Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 124.098 0.528 . . . . 0.0 111.122 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -49.8 124.08 11.78 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.869 2.379 . . . . 0.0 112.561 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.13 121.97 16.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.883 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -86.54 170.93 11.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -94.27 146.3 24.12 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.635 ' OD2' ' HD2' ' B' ' 44' ' ' ARG . 27.1 t70 -139.44 121.88 16.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.824 -176.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.513 HG12 HG12 ' B' ' 29' ' ' ILE . 55.2 mt -103.76 113.53 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.635 ' HD2' ' OD2' ' B' ' 42' ' ' ASP . 9.5 ptm85 -142.36 161.42 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.448 0.642 . . . . 0.0 112.473 -171.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.77 113.95 24.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.33 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -107.85 168.67 9.11 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.559 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.671 -172.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.533 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 96.3 mttt . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.976 0.417 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.26 139.17 6.37 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.588 HD13 HG22 ' A' ' 43' ' ' ILE . 11.7 tt -127.71 127.83 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.368 0.604 . . . . 0.0 111.467 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.9 p -90.58 133.39 35.12 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.472 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 27' ' ' LYS . 94.5 mt -119.45 137.78 53.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.214 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 14.4 m -79.39 167.85 20.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.202 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -59.33 -46.51 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.125 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -58.81 -45.48 89.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 36.3 mt-10 -63.28 -45.52 91.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.541 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.4 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 t80 -66.79 -40.53 88.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.026 -175.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.46 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.788 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 57.8 m -58.91 -44.96 91.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.55 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -55.16 -49.97 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.199 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.82 HG21 HD23 ' A' ' 75' ' ' LEU . 53.8 t -63.19 -44.43 99.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.595 -173.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.562 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 20.8 t70 -71.08 -40.39 71.59 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' B' ' 74' ' ' ASN . . . -61.35 -45.49 94.19 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.058 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.578 ' HB3' HG13 ' A' ' 68' ' ' VAL . 41.0 m-85 -80.89 -26.03 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.5 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.615 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 28.9 ttmt -48.5 -47.58 38.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.97 38.96 3.02 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.1 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.551 ' HB3' ' HA ' ' B' ' 71' ' ' PHE . 0.2 OUTLIER -137.93 -70.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.939 -177.627 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.561 ' HB3' HG11 ' A' ' 68' ' ' VAL . 27.1 tp -95.49 63.72 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.504 0.669 . . . . 0.0 111.235 -172.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -112.95 129.13 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.025 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -128.12 130.87 48.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -86.05 114.16 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.845 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.476 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 70.5 mm-40 -84.44 -78.15 0.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.202 -176.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -127.61 132.93 49.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.783 -171.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -81.38 91.71 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -52.03 -47.97 64.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.494 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 29' ' ' ILE . 48.0 mt -146.52 135.71 22.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.342 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -105.88 97.61 7.41 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.69 -80.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.886 -169.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.0 m -159.54 173.41 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.191 0.52 . . . . 0.0 111.672 -172.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.37 142.66 46.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.387 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.491 ' HB2' ' HB2' ' A' ' 25' ' ' TRP . 0.9 OUTLIER -94.91 162.48 13.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.419 -179.083 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -34.18 40.77 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 124.308 1.005 . . . . 0.0 113.106 -171.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.09 3.36 15.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.598 0.237 . . . . 0.0 111.544 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.32 32.2 23.31 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.302 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.491 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 27.4 m0 -98.84 141.45 31.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.302 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -105.86 138.38 42.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.84 0.353 . . . . 0.0 111.519 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 15.7 ttmm -129.41 118.78 22.73 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.48 169.0 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.383 0.611 . . . . 0.0 110.806 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.567 HG12 HG23 ' A' ' 43' ' ' ILE . 70.5 mt -117.95 124.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.446 ' H ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -146.64 172.27 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.269 0.557 . . . . 0.0 112.395 -170.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.52 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 46.9 mtt180 -97.69 130.45 44.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.321 174.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -122.52 120.59 61.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -94.61 125.8 39.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -98.73 93.44 6.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.049 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 66.95 -64.81 0.23 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.095 0.872 . . . . 0.0 110.726 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -126.07 3.2 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . 69.42 150.19 0.12 Allowed Pre-proline 0 N--CA 1.466 0.358 0 C-N-CA 123.004 0.521 . . . . 0.0 112.015 176.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 3.2 Cg_exo -77.87 38.63 0.69 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.313 2.675 . . . . 0.0 112.543 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . 65.32 106.1 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.366 0.603 . . . . 0.0 111.589 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 60' ' ' SER . 16.0 tptm -87.86 155.74 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.046 -175.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -88.01 126.43 35.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.464 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.62 128.96 27.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.626 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.567 HG23 HG12 ' A' ' 29' ' ' ILE . 62.0 mt -102.24 119.47 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -128.75 152.85 47.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.222 0.534 . . . . 0.0 112.183 -167.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB2' ' HG3' ' A' ' 27' ' ' LYS . . . -141.32 99.49 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 108.997 171.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -111.82 163.88 13.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.498 0.666 . . . . 0.0 111.707 -171.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.252 178.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' B' ' 55' ' ' LYS . . . 150.93 166.09 13.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.651 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 tt -156.9 140.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.018 0.437 . . . . 0.0 110.774 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -94.46 141.58 28.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.904 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.471 ' HB2' ' HD1' ' A' ' 64' ' ' PHE . 5.3 mp -125.14 146.01 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.544 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 4.2 m -84.45 165.31 18.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.794 175.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -48.19 64.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 122.98 0.175 . . . . 0.0 111.252 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.58 -52.47 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.127 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.428 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 32.3 mt-10 -61.82 -44.4 96.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.203 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' O ' ' HG2' ' A' ' 67' ' ' MET . 5.9 t80 -65.69 -47.51 75.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.539 -177.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.89 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 m -55.8 -50.35 70.74 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.624 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 19.3 ptt? -64.12 -37.28 86.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.271 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.603 HG21 HD22 ' B' ' 75' ' ' LEU . 41.6 t -56.5 -56.36 14.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.211 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.677 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 33.7 t70 -69.03 -36.06 77.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.778 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -48.91 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.193 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 16.4 m-85 -68.51 -43.92 75.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.974 -176.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 69' ' ' ASP . 23.5 pttp -73.23 -12.23 60.79 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.339 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.9 1.05 56.46 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.557 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -127.41 -52.81 1.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 111.262 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.572 HD23 HG21 ' B' ' 68' ' ' VAL . 47.5 tp -100.3 126.54 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 O-C-N 123.989 0.805 . . . . 0.0 109.887 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 33' ' ' SER . 43.3 p90 -123.28 145.28 48.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 178.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -146.36 128.88 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.499 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.558 HG12 HG22 ' B' ' 32' ' ' VAL . 57.2 mt -80.18 96.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.0 -36.54 19.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.561 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' B' ' 31' ' ' ARG . 33.5 tt0 -130.84 142.64 50.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -171.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.3 136.04 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.467 HD12 HG22 ' B' ' 29' ' ' ILE . 96.8 mt -90.54 -69.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.52 143.9 7.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.098 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.67 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 33.4 m -80.02 114.84 19.23 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.54 -69.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.251 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.428 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 69.2 m -163.42 155.17 17.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.946 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -82.75 145.66 29.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.492 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 1.0 OUTLIER -99.06 143.95 28.75 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 8.5 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -170.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -93.97 1.1 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.04 13.71 55.89 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.492 ' HB2' ' HB2' ' B' ' 21' ' ' ASN . 30.0 m0 -98.9 164.25 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -175.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -129.53 139.12 51.62 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.117 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -134.57 124.74 25.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.76 0.314 . . . . 0.0 110.42 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.67 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.0 pt-20 -151.28 -178.5 6.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.173 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 43' ' ' ILE . 48.1 mt -125.3 131.07 72.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.874 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -134.71 174.39 10.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.348 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.549 ' HB2' ' HB3' ' B' ' 13' ' ' GLU . 18.1 mtp180 -112.93 129.58 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.226 174.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.558 HG22 HG12 ' B' ' 11' ' ' ILE . 41.3 t -122.02 124.98 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 17.8 m -82.2 142.66 31.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -120.72 106.22 11.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.615 0.245 . . . . 0.0 111.134 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 61.02 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.266 0.626 . . . . 0.0 111.211 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.0 19.0 5.26 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.33 150.14 36.93 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.55 148.8 33.48 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.18 2.587 . . . . 0.0 112.532 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -62.65 117.97 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.997 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 98.3 mttt -94.63 175.0 6.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.012 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.58 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 93.0 m-85 -91.34 137.94 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.697 0.284 . . . . 0.0 110.762 -175.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -143.36 125.46 15.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.687 0.279 . . . . 0.0 110.561 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 29' ' ' ILE . 47.6 mt -98.13 123.03 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -139.37 146.95 40.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.262 0.553 . . . . 0.0 111.97 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.32 137.26 52.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.76 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -108.22 137.08 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.286 -174.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.252 -179.841 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.63 ' HB3' ' O ' ' A' ' 56' ' ' GLY . 57.0 mttp . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.41 156.73 8.44 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.463 HD13 HG22 ' A' ' 43' ' ' ILE . 8.6 tt -158.06 133.68 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.162 0.506 . . . . 0.0 111.768 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.1 m -95.63 144.93 25.65 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.114 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.64 147.31 48.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -83.07 164.96 19.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.58 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 5.8 p30 -57.36 -48.46 78.95 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.58 -39.26 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.499 0.19 . . . . 0.0 111.127 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.21 -43.69 95.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.564 0.697 . . . . 0.0 109.565 176.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.495 ' O ' ' HG3' ' B' ' 67' ' ' MET . 9.3 t80 -63.56 -50.18 70.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.366 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -53.22 -39.35 63.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.045 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -60.83 -48.74 80.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.343 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -72.59 -30.68 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.157 -176.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.572 HG21 HD23 ' A' ' 75' ' ' LEU . 74.4 t -62.57 -44.57 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.625 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.23 -47.61 85.26 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.237 0.542 . . . . 0.0 110.642 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.455 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -60.18 -47.33 86.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.557 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.456 ' HB3' HG22 ' A' ' 68' ' ' VAL . 22.9 m-85 -78.23 -9.19 59.1 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.156 0.503 . . . . 0.0 110.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.595 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 85.6 tttt -82.86 -21.6 34.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.62 -23.31 50.83 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.117 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -158.79 -167.45 2.13 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 117.342 0.571 . . . . 0.0 111.252 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.603 HD22 HG21 ' A' ' 68' ' ' VAL . 0.4 OUTLIER 74.54 1.77 3.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.877 0.871 . . . . 0.0 111.902 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 122.251 1.024 . . . . 0.0 110.119 172.249 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.633 0.254 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -112.75 130.97 55.88 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HB2' ' OG ' ' A' ' 33' ' ' SER . 72.6 mm-40 -122.84 122.22 38.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.41 HG12 HG22 ' A' ' 32' ' ' VAL . 70.3 mt -80.86 104.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.21 -65.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.498 0.666 . . . . 0.0 110.85 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -134.05 141.09 47.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.835 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -93.68 116.18 28.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 HG22 ' A' ' 29' ' ' ILE . 96.5 mt -65.58 -57.64 7.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.84 135.38 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.866 173.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 m -78.54 104.0 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.856 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 83.6 mt -56.44 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.346 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -171.1 -178.13 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.864 0.364 . . . . 0.0 110.031 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.29 117.36 15.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -112.75 154.2 26.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.904 0.383 . . . . 0.0 111.72 -171.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 60.34 21.72 11.24 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.018 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.6 tttt 60.72 86.18 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.317 0.647 . . . . 0.0 111.022 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.44 -43.52 1.45 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.285 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -72.26 99.67 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.2 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 8.4 m -87.03 138.16 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.445 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HD3' HD23 ' B' ' 59' ' ' LEU . 38.5 ttmt -123.37 121.69 36.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' H ' ' A' ' 18' ' ' LEU . 11.8 pt-20 -150.36 179.33 8.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.258 0.551 . . . . 0.0 111.929 -174.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.541 HG12 HG23 ' A' ' 43' ' ' ILE . 53.9 mt -130.6 120.41 48.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.471 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -143.7 -178.92 6.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.952 0.406 . . . . 0.0 111.289 -175.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 31' ' ' ARG . 12.9 mtp180 -106.3 119.38 39.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.911 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 11' ' ' ILE . 40.7 t -114.29 121.94 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.243 176.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 13.3 p -91.88 145.93 24.15 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -123.6 121.8 36.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.508 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 p30 47.33 30.75 1.6 Allowed 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.376 1.048 . . . . 0.0 112.983 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.36 -156.19 27.07 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.355 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.597 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -84.6 -52.56 0.52 Allowed Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 6.1 Cg_endo -47.43 115.94 1.6 Allowed 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.382 2.721 . . . . 0.0 113.111 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.59 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -104.03 164.77 11.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.224 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 32.9 tptt -124.14 150.94 44.53 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -78.22 114.88 17.52 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.49 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 25.7 t70 -118.69 123.86 45.94 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.096 0.474 . . . . 0.0 111.188 -175.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.594 HG22 HD13 ' B' ' 57' ' ' ILE . 52.4 mt -101.82 108.34 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.49 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 16.1 ttm-85 -142.77 145.89 33.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 0.0 112.517 -170.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -110.74 114.43 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.794 170.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -111.37 151.73 28.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.253 0.549 . . . . 0.0 112.27 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.694 177.49 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.695 ' HE2' ' HA ' ' B' ' 57' ' ' ILE . 50.8 mtpt . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -164.38 144.31 9.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.849 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.23 145.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.383 . . . . 0.0 110.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.417 ' HB ' ' HG2' ' A' ' 40' ' ' LYS . 25.0 p -96.19 140.85 30.29 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.652 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.84 150.73 42.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.268 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.9 m -87.64 165.23 15.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -64.52 -35.93 82.57 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.08 -42.33 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.246 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' THR . 40.2 mt-10 -64.7 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.508 0.67 . . . . 0.0 110.125 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' O ' ' HG3' ' A' ' 67' ' ' MET . 4.4 t80 -62.36 -51.13 68.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.664 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.94 -31.64 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 75.9 m -55.14 -45.34 75.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.843 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -78.69 -29.63 45.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.513 -178.069 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 t -56.06 -53.43 38.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.286 0.565 . . . . 0.0 110.41 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.583 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 19.2 t70 -71.58 -34.03 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' CB ' HD13 ' B' ' 16' ' ' LEU . . . -63.82 -40.03 95.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.319 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -73.96 -24.03 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.995 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' ASP . 34.6 ttmt -58.76 -39.85 82.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.47 0.653 . . . . 0.0 109.734 171.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.23 45.12 1.51 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.741 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -161.49 -66.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.108 0.454 . . . . 0.0 111.596 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB3' HE22 ' B' ' 65' ' ' GLN . 4.8 mp -94.16 -22.95 18.13 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.147 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 49.2 tt0 . . . . . 0 C--N 1.322 -0.612 0 CA-C-O 121.126 0.489 . . . . 0.0 110.714 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -145.2 122.41 11.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.129 0.49 . . . . 0.0 109.915 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -133.12 148.76 52.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.309 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.92 124.05 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.082 0.468 . . . . 0.0 111.17 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.544 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 18.2 mm-40 -88.71 -42.92 11.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.691 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -162.0 121.79 2.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.977 -173.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.441 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.8 OUTLIER -94.09 137.3 33.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.011 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.488 HD12 HG22 ' B' ' 29' ' ' ILE . 67.0 mt -82.13 -58.15 3.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -174.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -152.36 149.42 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 177.355 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.669 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 91.7 m -92.31 121.34 33.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.583 173.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.67 -58.41 3.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -162.35 155.78 20.56 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.365 0.602 . . . . 0.0 112.098 -173.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -111.15 103.59 12.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 168.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 14.8 m120 -87.82 124.97 34.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.129 -172.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 55.02 34.07 21.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.19 171.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 pttm 39.98 83.01 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.866 0.866 . . . . 0.0 112.478 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.99 -46.7 0.48 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' B' ' 21' ' ' ASN . 10.7 m95 -84.72 104.23 14.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.543 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.8 m -97.88 135.66 39.31 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.885 174.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.515 ' HG3' ' HB2' ' B' ' 45' ' ' ALA . 31.9 ttpt -134.6 123.77 24.34 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.669 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.3 pt-20 -156.78 -179.27 8.03 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.465 0.65 . . . . 0.0 111.766 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.537 HG12 HG23 ' B' ' 43' ' ' ILE . 80.9 mt -117.37 116.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.972 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 8.0 p30 -139.49 168.12 20.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.3 mtm105 -103.26 119.23 38.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.683 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.56 131.38 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.43 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -91.34 113.84 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -88.73 121.85 31.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.752 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p30 43.91 -98.34 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.765 0.826 . . . . 0.0 112.295 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.42 32.33 3.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.872 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.22 155.72 41.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.65 140.32 46.21 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.065 2.51 . . . . 0.0 112.545 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.544 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -65.93 106.5 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.2 mttt -86.93 165.67 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.26 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -82.74 115.38 21.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.358 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -114.01 117.52 31.56 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.177 0.513 . . . . 0.0 109.743 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.537 HG23 HG12 ' B' ' 29' ' ' ILE . 8.1 mm -90.19 103.36 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -151.37 148.06 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.821 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' B' ' 27' ' ' LYS . . . -107.92 140.23 41.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.116 172.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . 0.543 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 9.8 p-90 -107.37 126.68 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.648 0.737 . . . . 0.0 110.316 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.108 -1.405 . . . . 0.0 110.085 -173.491 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.461 0.648 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . 0.466 ' O ' ' HB3' ' A' ' 55' ' ' LYS . . . 91.62 -179.1 41.54 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.961 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.695 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 8.8 tt -148.94 141.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.42 0.288 . . . . 0.0 110.284 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.5 m -97.92 117.93 33.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.336 0.589 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.586 HD23 ' HD3' ' A' ' 27' ' ' LYS . 56.4 mt -104.61 138.44 40.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.793 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.418 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 32.6 t -83.8 165.9 18.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -60.43 -27.68 67.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -64.09 -62.08 1.86 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.455 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.856 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 16.7 pm0 -72.17 -23.56 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 -177.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.577 ' O ' HG23 ' B' ' 68' ' ' VAL . 11.4 t80 -64.84 -52.47 56.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.118 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.463 HE22 ' HB3' ' A' ' 75' ' ' LEU . 7.6 tp-100 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.113 0.483 . . . . 0.0 109.88 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.7 m -53.63 -51.54 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.437 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -71.07 -32.06 68.63 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.598 -176.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 64' ' ' PHE . 66.1 t -53.61 -48.31 59.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.289 0.566 . . . . 0.0 110.063 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.0 -42.43 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.926 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.34 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.453 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 17.6 m-85 -72.46 -28.2 62.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.145 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 7.9 mmtp -64.25 -30.34 71.4 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.502 0.668 . . . . 0.0 110.171 171.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.57 27.87 18.54 Favored Glycine 0 C--N 1.316 -0.551 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.269 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -143.2 -64.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 64' ' ' PHE . 6.2 mp -89.82 -31.49 17.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' B' ' 72' ' ' LYS . 24.2 tp10 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.908 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.448 -0.571 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 33' ' ' SER . 50.5 p90 -126.41 147.48 49.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 111.566 -174.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.49 153.61 33.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.376 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.57 96.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 109.737 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 44.9 mm-40 -60.65 -43.18 97.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.1 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -157.42 126.21 5.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -83.57 103.89 13.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.411 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.484 HD12 HG22 ' A' ' 29' ' ' ILE . 67.7 mt -77.35 -64.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 -175.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' B' ' 67' ' ' MET . 87.8 mt -134.47 147.1 50.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.607 -173.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -106.56 117.45 34.08 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 10.0 mt -83.03 -68.41 0.71 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.56 ' HB3' ' OE2' ' B' ' 63' ' ' GLU . 22.8 t -179.8 171.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.571 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 13.4 tt0 -115.94 120.11 38.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.27 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 4.2 p-10 -115.36 169.57 9.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.436 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 57.98 15.85 3.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.975 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 58.56 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.392 0.615 . . . . 0.0 111.231 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.73 -34.99 5.36 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.749 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.526 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 40.0 m95 -76.37 96.49 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.286 0.565 . . . . 0.0 110.037 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 7.0 m -94.14 138.39 32.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HG2' ' HB2' ' A' ' 45' ' ' ALA . 35.5 mtmm -108.44 125.09 51.37 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -140.39 170.34 16.0 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.911 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.485 HG12 HG12 ' A' ' 43' ' ' ILE . 67.2 mt -120.84 119.8 60.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -147.2 166.63 26.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.222 0.534 . . . . 0.0 111.544 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HD3' ' HB1' ' A' ' 39' ' ' ALA . 54.5 mtt180 -87.09 141.09 28.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.939 174.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -126.98 133.53 68.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 20.8 p -113.11 123.4 50.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.146 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.48 113.11 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.639 0.257 . . . . 0.0 111.601 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 70.76 -60.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.957 0.903 . . . . 0.0 111.881 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.4 -127.38 4.22 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.684 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -135.54 42.99 0.81 Allowed Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 4.4 Cg_endo -85.72 93.02 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.161 1.907 . . . . 0.0 110.476 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.577 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -81.27 99.46 8.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.001 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 75.0 mttt -101.8 174.4 5.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 171.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -100.3 125.98 46.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.611 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.539 ' OD1' ' HB2' ' A' ' 44' ' ' ARG . 15.5 t70 -124.51 126.39 45.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.485 HG12 HG12 ' A' ' 29' ' ' ILE . 59.3 mt -98.59 104.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 173.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.539 ' HB2' ' OD1' ' A' ' 42' ' ' ASP . 3.2 tpp180 -118.54 143.06 47.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.304 0.573 . . . . 0.0 112.505 -167.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 27' ' ' LYS . . . -111.01 106.36 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.877 168.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.526 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 60.7 p-90 -108.77 143.04 38.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.093 0.473 . . . . 0.0 111.645 -175.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.415 ' O ' ' HE3' ' A' ' 46' ' ' TRP . 5.6 p . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.406 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 pttt . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.359 0.599 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.505 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -164.05 -172.02 31.0 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.529 HD11 ' HD2' ' B' ' 27' ' ' LYS . 10.2 tp -140.11 128.91 26.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 117.292 0.546 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 p -91.01 118.71 30.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.702 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.48 134.4 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.017 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 m -83.41 166.35 18.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.807 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -55.53 -36.43 66.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.231 0.538 . . . . 0.0 110.961 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.91 -54.41 46.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.878 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.18 -38.51 85.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.772 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.66 ' HD2' HD21 ' B' ' 75' ' ' LEU . 3.2 t80 -61.61 -53.77 51.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.862 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -59.28 -38.15 79.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.678 0.275 . . . . 0.0 110.808 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -55.94 -49.93 72.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.57 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.539 ' HA ' HD11 ' B' ' 16' ' ' LEU . 22.3 ptt? -67.24 -36.57 81.91 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.291 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.588 HG21 HD22 ' B' ' 75' ' ' LEU . 77.7 t -59.33 -50.04 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.223 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.536 ' HA ' ' HG2' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -63.02 -43.39 98.89 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.869 0.366 . . . . 0.0 111.497 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.25 -40.92 91.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.099 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.614 ' HB3' HG13 ' B' ' 68' ' ' VAL . 22.6 m-85 -81.24 -35.28 31.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.935 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.578 ' HE3' HG12 ' A' ' 68' ' ' VAL . 14.8 ptpt -64.22 -25.92 68.28 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.581 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -102.46 11.36 56.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.309 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.94 -59.69 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.265 0.532 . . . . 0.0 112.37 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.743 ' HB3' HG11 ' B' ' 68' ' ' VAL . 19.7 tp -91.45 164.4 13.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.083 -170.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.535 ' HB3' ' HE2' ' B' ' 72' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.464 0.23 0 C-N-CA 123.484 0.714 . . . . 0.0 109.163 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -145.02 141.74 29.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.764 0.316 . . . . 0.0 110.172 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.94 153.32 52.11 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.44 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -83.05 111.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.355 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.657 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 9.8 mm-40 -75.82 -49.91 16.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -150.3 117.42 5.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.74 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -78.75 107.74 11.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.502 HD12 HG22 ' B' ' 29' ' ' ILE . 88.1 mt -65.94 -69.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.495 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 67' ' ' MET . 1.2 pt? -155.75 161.52 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -99.28 127.83 45.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.585 174.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 82.1 mt -82.21 -59.61 2.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.986 0.422 . . . . 0.0 110.136 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -154.6 160.14 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' B' ' 23' ' ' LYS . 0.9 OUTLIER -129.87 106.02 8.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 2.9 t-20 -110.98 141.22 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.211 -169.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 63.81 10.63 5.31 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.865 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' OE1' ' B' ' 20' ' ' GLU . 47.3 tttm 56.79 84.23 0.09 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.033 0.533 . . . . 0.0 110.616 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.48 -35.48 2.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.753 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 77.9 m95 -87.5 84.21 7.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' B' ' 45' ' ' ALA . 23.5 m -92.98 136.52 33.19 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.068 -173.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.529 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -105.46 122.73 46.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.404 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -151.3 175.57 12.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.611 . . . . 0.0 111.608 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.542 HG12 HG23 ' B' ' 43' ' ' ILE . 51.1 mt -131.11 123.75 54.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.912 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -143.79 166.47 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.102 0.477 . . . . 0.0 111.361 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.628 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 45.9 mtt-85 -85.23 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.838 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.81 126.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.375 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 6.2 p -99.84 136.46 39.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -113.2 108.32 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.121 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 59.47 36.84 23.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.496 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.76 67.78 1.62 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.403 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -147.17 158.71 44.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -46.53 125.48 9.31 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.327 2.685 . . . . 0.0 112.182 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.657 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -62.92 125.17 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.877 -175.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 58.5 mttp -106.81 169.7 8.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 177.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' B' ' 15' ' ' LEU . 72.4 m-85 -99.47 116.83 32.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.3 . . . . 0.0 110.727 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -112.17 121.65 45.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.542 HG23 HG12 ' B' ' 29' ' ' ILE . 56.8 mt -101.63 109.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.729 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 8.5 ptp180 -150.71 -173.72 4.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.511 0.672 . . . . 0.0 112.156 -174.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' B' ' 27' ' ' LYS . . . -122.36 150.05 42.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.01 175.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . 0.514 ' O ' ' HA ' ' B' ' 25' ' ' TRP . 96.9 m95 -108.52 149.94 28.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.548 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . 0.729 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . -169.8 -179.71 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.767 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.505 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 21.1 tt -132.28 140.29 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.148 0.499 . . . . 0.0 111.008 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -100.67 129.63 46.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.312 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.4 mt -113.66 140.2 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -81.67 173.09 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.328 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -52.58 -56.76 13.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.79 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -64.66 -43.69 92.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.56 ' OE2' ' HB3' ' A' ' 19' ' ' SER . 40.8 mt-10 -61.1 -40.61 94.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.685 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -67.39 -45.88 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.085 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.404 HE21 ' HA ' ' B' ' 65' ' ' GLN . 0.0 OUTLIER -57.59 -44.18 85.22 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 177.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.5 m -53.75 -51.98 61.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.69 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.49 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.73 -36.48 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.113 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.743 HG11 ' HB3' ' A' ' 75' ' ' LEU . 48.7 t -61.39 -48.38 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-O 120.62 0.248 . . . . 0.0 110.893 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.54 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 22.6 t70 -62.9 -40.82 98.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.394 . . . . 0.0 111.132 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.93 78.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.153 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.23 -26.52 61.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.74 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 23.9 ttpp -57.98 -37.45 74.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.273 0.558 . . . . 0.0 110.142 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.64 33.97 6.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.926 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -152.29 -178.65 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 64' ' ' PHE . 6.5 mp 55.82 -162.34 0.16 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.823 0.449 . . . . 0.0 110.838 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.433 ' H ' ' HB3' ' B' ' 75' ' ' LEU . 33.4 tt0 . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.463 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.78 0.324 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -113.68 137.68 51.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -144.68 141.0 28.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.076 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.507 HG12 HG22 ' A' ' 32' ' ' VAL . 58.9 mt -81.86 114.94 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -91.2 -52.34 4.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.175 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 56.3 tt0 -127.23 143.92 51.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.402 -174.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -115.9 116.2 27.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 29' ' ' ILE . 95.6 mt -76.19 -72.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.071 -174.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -158.31 164.62 36.22 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.145 0.498 . . . . 0.0 111.387 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.667 HG23 ' HG2' ' A' ' 28' ' ' GLU . 19.8 m -100.0 123.97 44.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.431 173.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 93.8 mt -77.8 -59.81 2.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.603 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.4 p -165.37 171.67 13.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 111.286 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -123.83 113.18 18.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 13.5 m120 -106.16 147.42 29.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 63.11 -86.95 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.357 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -178.02 82.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.45 -20.58 6.94 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.105 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.478 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 91.8 m95 -81.87 82.96 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 m -87.3 137.51 32.28 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 3.7 ttmp? -115.21 119.62 36.96 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 17' ' ' THR . 37.0 mt-10 -138.11 167.34 22.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.039 0.447 . . . . 0.0 111.062 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 15' ' ' LEU . 40.0 mt -130.5 130.14 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.52 -0.763 . . . . 0.0 108.983 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.59 -174.99 4.75 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.564 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 12.3 mtp85 -121.62 106.08 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.792 -177.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 11' ' ' ILE . 77.7 t -101.23 140.55 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.39 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 t -108.79 146.24 33.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 0.0 110.368 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -118.25 111.71 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.697 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 68.32 -73.11 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.563 0.745 . . . . 0.0 111.283 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.07 54.88 0.41 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -98.61 163.66 18.54 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 66.2 Cg_endo -75.33 17.21 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.577 2.185 . . . . 0.0 112.385 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . 67.05 105.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.451 0.7 . . . . 0.0 111.31 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 67.4 mttm -94.69 175.27 6.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.348 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -100.69 136.61 40.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.37 132.4 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.413 0.625 . . . . 0.0 110.493 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.519 HG23 HG12 ' A' ' 29' ' ' ILE . 59.8 mt -107.04 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.062 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.841 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 77.3 mtp180 -132.25 162.02 32.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.46 0.648 . . . . 0.0 112.075 -172.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.45 142.61 43.5 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.047 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 78.1 m95 -108.06 125.09 51.16 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.9 0.381 . . . . 0.0 110.224 -178.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.965 -179.425 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt . . . . . 0 C--O 1.232 0.178 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.841 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . -174.54 160.22 29.47 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.621 -178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.5 tp -124.05 133.77 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.898 0.38 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.8 m -94.58 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.329 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.77 132.93 52.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.067 0.46 . . . . 0.0 110.745 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t -78.0 172.66 13.17 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -53.64 54.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.537 -173.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.1 -42.59 96.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.334 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 39.2 mt-10 -60.57 -46.4 90.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.413 0.625 . . . . 0.0 110.235 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' A' ' 67' ' ' MET . 15.8 t80 -63.47 -46.7 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.095 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.18 -37.67 77.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.3 m -54.79 -52.69 61.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 15.6 ptt? -66.78 -36.11 81.65 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.617 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.569 HG21 HD22 ' B' ' 75' ' ' LEU . 43.9 t -59.56 -61.04 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.293 -176.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.24 -37.27 82.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.923 0.392 . . . . 0.0 110.6 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.64 55.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.254 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.63 ' HB3' HG22 ' B' ' 68' ' ' VAL . 23.0 m-85 -72.39 -32.08 66.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.616 0.246 . . . . 0.0 111.025 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.88 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 64.1 tttm -53.21 -36.26 60.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.461 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.34 1.35 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -148.69 -65.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.86 0.33 . . . . 0.0 111.745 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.73 HD23 HG21 ' B' ' 68' ' ' VAL . 25.6 tp -65.38 -39.96 92.91 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.998 -173.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 174.12 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.472 ' HB2' HG11 ' B' ' 32' ' ' VAL . 25.3 p90 -119.23 121.1 38.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.809 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.749 ' HB2' ' HB3' ' B' ' 33' ' ' SER . 18.6 mt-10 -120.08 117.23 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.177 -177.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.57 99.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 0.0 110.076 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -88.46 -50.17 6.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.063 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 38.4 tt0 -125.25 125.72 44.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.626 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -99.7 121.98 42.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 29' ' ' ILE . 96.1 mt -97.01 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.794 -175.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 67' ' ' MET . 88.0 mt -132.79 147.23 52.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.481 ' HA ' ' HG2' ' B' ' 28' ' ' GLU . 45.3 m -106.16 101.08 10.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.1 -64.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.612 -172.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.458 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 41.4 t -155.04 150.73 27.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.766 -175.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -105.67 102.63 12.07 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -115.4 153.44 31.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 64.74 5.82 2.98 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.821 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.9 mttm 52.25 81.79 0.08 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.442 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.22 -26.3 3.4 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.166 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -103.85 93.97 5.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.855 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -87.21 137.18 32.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.202 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 35.3 ttpt -117.28 116.08 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.481 ' HG2' ' HA ' ' B' ' 17' ' ' THR . 46.7 mt-10 -134.8 170.74 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.438 0.637 . . . . 0.0 111.718 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.497 HG12 HG23 ' B' ' 43' ' ' ILE . 60.9 mt -117.78 136.37 55.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.843 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.489 HD22 ' N ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -164.68 -174.23 3.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -176.593 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.486 ' HD3' ' CE2' ' B' ' 41' ' ' PHE . 41.1 mtm180 -125.41 114.11 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.963 0.411 . . . . 0.0 110.502 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' B' ' 9' ' ' PHE . 58.2 t -100.34 137.11 28.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.886 -178.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.749 ' HB3' ' HB2' ' B' ' 10' ' ' GLU . 30.1 t -82.16 117.95 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.197 173.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.74 105.2 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 64.15 16.0 9.71 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.487 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.56 -149.48 16.74 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -174.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.486 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.65 171.61 0.09 OUTLIER Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.59 0.356 . . . . 0.0 111.362 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.486 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 52.2 Cg_exo -56.77 125.28 18.49 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.132 1.888 . . . . 0.0 111.906 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.06 125.21 16.55 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.896 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.781 ' HE3' ' HA ' ' B' ' 40' ' ' LYS . 0.6 OUTLIER -86.12 152.47 22.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.541 -177.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.486 ' CE2' ' HD3' ' B' ' 31' ' ' ARG . 22.6 m-85 -80.77 128.84 34.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.687 ' HB3' HG22 ' B' ' 58' ' ' THR . 8.3 p-10 -138.72 136.41 35.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.503 0.668 . . . . 0.0 111.424 178.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.497 HG23 HG12 ' B' ' 29' ' ' ILE . 52.9 mt -116.44 113.05 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.901 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.559 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 4.4 ppt_? -162.58 177.52 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.876 0.369 . . . . 0.0 111.695 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -114.58 155.86 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.951 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 67.8 p-90 -130.1 154.88 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.688 -170.683 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mttp . . . . . 0 C--O 1.234 0.288 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . 0.559 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . 173.89 -154.72 20.31 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 11.6 tt -138.19 138.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.97 0.414 . . . . 0.0 111.154 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.687 HG22 ' HB3' ' B' ' 42' ' ' ASP . 16.7 p -102.95 133.04 48.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.493 174.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.805 HD21 ' HD1' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -144.27 168.64 19.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.722 0.296 . . . . 0.0 111.458 -173.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.551 ' HA ' ' HE2' ' B' ' 40' ' ' LYS . 12.1 t -96.6 173.18 7.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.367 0.603 . . . . 0.0 111.773 -171.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -29.37 70.61 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.618 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.96 -60.13 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.627 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 mp0 -57.71 -39.75 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.847 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.805 ' HD1' HD21 ' B' ' 59' ' ' LEU . 1.0 OUTLIER -56.65 -48.13 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.347 -178.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -67.07 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.406 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.9 m -57.06 -49.46 75.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.429 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 23.6 ptt? -68.37 -32.79 73.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.73 HG21 HD23 ' A' ' 75' ' ' LEU . 48.6 t -60.89 -44.28 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.42 -48.45 72.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.448 . . . . 0.0 110.728 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.12 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.285 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 24.9 m-85 -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.88 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 81.2 tttt -76.94 -25.54 53.01 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 -11.09 50.4 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.827 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -123.27 166.66 14.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.447 -0.443 . . . . 0.0 110.168 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 68' ' ' VAL . 5.6 mp 58.42 -162.49 0.22 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.37 0.268 . . . . 0.0 110.477 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.428 ' H ' ' HB3' ' B' ' 75' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.488 0 O-C-N 123.783 0.677 . . . . 0.0 110.171 174.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.606 -0.886 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.581 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 49.2 p90 -140.68 147.24 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.631 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.7 149.68 33.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.586 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.84 98.99 7.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.5 -32.37 17.22 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.534 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 8.3 tp10 -123.44 141.57 51.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.941 0.4 . . . . 0.0 110.98 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -117.86 125.46 50.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.796 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 29' ' ' ILE . 86.7 mt -100.58 -70.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.127 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 82.6 mt -134.98 147.62 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 -173.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -106.64 120.02 40.86 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 165.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 mt -87.98 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p -161.01 163.76 31.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 112.165 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -102.85 107.65 18.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.004 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.21 125.39 35.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.779 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 58.1 20.67 7.16 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.102 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 tttp 55.72 84.04 0.08 Allowed 'General case' 0 CA--C 1.53 0.177 0 O-C-N 123.699 0.624 . . . . 0.0 111.078 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.64 -51.06 0.54 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.908 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -86.5 98.22 10.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 137.36 32.41 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.93 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 39.0 ttmt -112.74 131.24 55.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.875 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 11.7 pt-20 -148.09 174.0 12.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.337 0.589 . . . . 0.0 111.505 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 15' ' ' LEU . 63.1 mt -123.31 122.54 65.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.734 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -148.05 -175.62 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.907 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.59 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 61.9 mtp180 -113.83 119.64 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.535 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.581 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 79.0 t -101.1 124.35 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.815 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.505 ' HB3' ' HA ' ' A' ' 37' ' ' ALA . 2.8 m -89.96 113.69 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.779 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -92.01 112.34 24.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.472 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 68.8 -63.67 0.35 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.853 0.861 . . . . 0.0 111.784 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.501 ' C ' ' HD3' ' A' ' 38' ' ' PRO . . . -98.47 -133.39 7.99 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.52 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -128.26 61.87 55.53 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.865 0.332 . . . . 0.0 111.808 174.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 93.6 Cg_endo -105.02 46.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 123.836 3.024 . . . . 0.0 110.687 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.59 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -52.85 107.05 0.19 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.572 -170.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 57.5 mttp -99.55 172.06 7.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.318 176.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.09 127.34 33.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.787 0.327 . . . . 0.0 110.282 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.493 ' OD1' ' HD2' ' A' ' 44' ' ' ARG . 13.0 t70 -130.99 119.11 21.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.1 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.596 HG22 HD13 ' B' ' 57' ' ' ILE . 54.2 mt -95.23 112.3 27.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HD2' ' OD1' ' A' ' 42' ' ' ASP . 10.9 ptm85 -145.22 164.25 31.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.488 0.661 . . . . 0.0 112.145 -169.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -126.02 127.31 45.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.831 172.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -108.29 146.86 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.425 0.631 . . . . 0.0 111.122 -177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.892 -174.499 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.7 mttt . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 121.057 0.456 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.551 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -139.06 173.29 22.74 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.561 ' HB ' ' HA2' ' B' ' 56' ' ' GLY . 20.2 tt -148.86 142.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.481 0.641 . . . . 0.0 112.08 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.8 p -92.16 143.09 26.79 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.053 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.7 mt -128.25 129.59 46.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -77.64 171.08 15.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.48 -42.78 88.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.55 -53.45 54.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.243 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.42 -41.52 98.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.143 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.481 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 29.4 t80 -65.21 -44.63 87.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.75 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -63.18 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -53.04 -51.45 61.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.299 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 16.5 ptt? -66.16 -40.73 90.77 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.877 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.575 HG21 HD23 ' B' ' 75' ' ' LEU . 66.8 t -57.48 -52.31 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.778 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 18.9 t70 -64.45 -48.21 76.17 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 110.936 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.17 86.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.563 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -82.69 -35.31 26.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -62.62 -28.08 69.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.94 -178.367 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 72' ' ' LYS . . . -105.49 33.83 6.23 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.335 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -155.44 -53.38 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.732 0.266 . . . . 0.0 111.398 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.558 ' HG ' ' NE2' ' B' ' 65' ' ' GLN . 30.4 tp -109.49 33.59 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.81 -171.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.485 0.659 . . . . 0.0 109.835 174.891 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -108.11 133.22 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 151.11 36.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.218 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.7 mt -93.95 107.39 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.198 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.54 -40.41 35.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.154 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -149.09 114.81 5.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.106 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -98.36 125.41 43.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.35 -73.84 0.22 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.619 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.45 148.79 29.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.081 0.467 . . . . 0.0 110.72 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.6 m -86.03 121.35 28.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.535 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.26 -63.21 1.13 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.4 m -164.4 170.92 15.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.36 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -106.79 107.35 18.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 172.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' B' ' 22' ' ' GLU . 6.6 t-20 -90.31 130.56 36.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.028 -170.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.431 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 22.1 mm-40 59.95 23.37 12.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.03 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' B' ' 23' ' ' LYS . 72.1 mmtt 52.11 87.95 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.443 0.639 . . . . 0.0 111.704 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.83 -47.21 0.95 Allowed Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.796 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -86.45 97.55 10.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 0.0 109.748 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -85.4 137.47 32.91 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.409 ' CD ' HD11 ' A' ' 57' ' ' ILE . 30.3 ttpt -119.58 117.92 29.64 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -176.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' B' ' 29' ' ' ILE . 31.0 tt0 -135.86 155.5 50.22 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.85 -170.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.572 HG12 HG12 ' B' ' 43' ' ' ILE . 59.5 mt -108.69 115.61 49.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.334 173.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.26 174.45 10.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.847 0.356 . . . . 0.0 111.142 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.519 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 78.4 mtp180 -109.75 119.73 40.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.671 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.83 137.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.996 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' B' ' 36' ' ' GLY . 66.4 m -114.91 144.54 43.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 176.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.26 108.42 15.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.969 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 71.28 -61.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.047 0.842 . . . . 0.0 111.33 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' B' ' 33' ' ' SER . . . -92.36 -149.54 24.63 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 175.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 63.42 60.61 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.374 0.587 . . . . 0.0 112.238 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.2 -26.85 4.82 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.216 1.944 . . . . 0.0 111.227 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' B' ' 31' ' ' ARG . . . 43.76 78.78 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.773 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 95.3 mttt -91.89 157.55 16.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -79.02 128.53 33.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.036 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.34 134.03 44.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.866 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.572 HG12 HG12 ' B' ' 29' ' ' ILE . 52.4 mt -114.37 108.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.631 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.555 ' HA ' HD12 ' A' ' 57' ' ' ILE . 18.4 ptp180 -147.21 173.74 12.26 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.717 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.58 147.0 35.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.968 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -111.63 135.22 52.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.024 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.393 179.83 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 pttt . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.197 0.523 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . 0.561 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . -177.49 -174.99 44.36 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.596 HD13 HG22 ' A' ' 43' ' ' ILE . 17.3 tt -136.93 133.53 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.225 0.536 . . . . 0.0 111.577 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -89.26 135.53 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.121 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -120.86 144.15 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.759 0.314 . . . . 0.0 110.708 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.4 m -79.77 168.0 19.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -56.2 -51.55 67.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.99 -49.3 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.136 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -57.0 -47.0 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.253 0.549 . . . . 0.0 110.629 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.492 ' O ' ' HG2' ' B' ' 67' ' ' MET . 7.3 t80 -62.19 -51.58 67.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.493 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.558 ' NE2' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.52 -38.68 72.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.704 176.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.0 m -60.14 -49.02 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.19 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 17.5 ptt? -64.64 -35.36 80.78 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.524 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.555 HG21 HD23 ' A' ' 75' ' ' LEU . 96.5 t -62.79 -57.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 0.0 110.477 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.9 -51.95 62.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.011 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 -50.95 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.132 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.481 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 14.8 m-85 -68.78 -28.86 67.15 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.698 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -63.35 -33.22 75.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.232 0.539 . . . . 0.0 110.068 174.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.98 25.38 26.55 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.446 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' B' ' 71' ' ' PHE . 3.0 t-20 -141.1 -68.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.788 0.294 . . . . 0.0 111.383 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.575 HD23 HG21 ' A' ' 68' ' ' VAL . 36.8 tp -80.28 -25.57 39.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.141 -0.223 . . . . 0.0 111.333 -172.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 C--O 1.234 0.259 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.142 177.799 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 120.923 0.392 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' SER . 21.2 p90 -104.46 127.99 52.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 109.823 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -137.15 146.97 45.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.621 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.469 HD11 ' HZ2' ' A' ' 46' ' ' TRP . 64.3 mt -77.97 117.29 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.608 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 3.1 mm-40 -84.16 -44.89 13.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -155.28 127.17 7.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -78.88 116.08 18.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.89 -53.36 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.5 OUTLIER -154.38 113.13 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 -174.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.6 m -88.9 106.69 18.56 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.544 HD23 HD22 ' A' ' 16' ' ' LEU . 89.1 mt -73.7 -67.17 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.064 -169.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -168.95 172.28 7.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -172.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 32.3 tt0 -117.34 124.05 47.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.458 HD22 ' N ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -94.34 128.35 40.78 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 53.97 28.82 9.11 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.648 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 52.5 88.89 0.03 OUTLIER 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.575 -175.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.423 ' H ' ' HG2' ' A' ' 20' ' ' GLU . . . 152.23 -65.4 0.35 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.115 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -84.59 100.26 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.268 0.556 . . . . 0.0 110.621 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 6.8 m -86.93 139.76 30.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.141 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -113.73 122.72 47.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -139.28 151.55 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.491 0.662 . . . . 0.0 111.737 -171.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.509 HG12 HG23 ' A' ' 43' ' ' ILE . 63.0 mt -114.03 126.03 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.063 174.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -151.18 167.19 28.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.495 -173.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 51.4 mtp180 -99.63 125.92 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.721 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.9 t -113.33 130.54 67.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.048 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 12' ' ' GLU . 39.5 t -90.21 127.1 36.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.717 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -109.04 108.43 19.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 32.03 -86.45 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.242 1.417 . . . . 0.0 113.968 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.15 53.3 0.71 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.131 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . -148.78 148.93 29.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 122.067 0.147 . . . . 0.0 110.676 -178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 35.7 Cg_exo -61.11 142.94 98.56 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.825 2.35 . . . . 0.0 112.013 178.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -59.45 123.04 15.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.348 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 70.7 mmtt -92.03 178.62 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.867 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -102.14 123.01 45.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.5 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 36.5 t70 -129.52 124.93 35.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.974 0.416 . . . . 0.0 111.178 -175.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 29' ' ' ILE . 60.1 mt -96.76 111.71 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.5 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 37.8 ttp-105 -138.44 158.01 45.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.186 0.517 . . . . 0.0 111.853 -165.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.77 143.8 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.79 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.469 ' HZ2' HD11 ' A' ' 11' ' ' ILE . 94.8 m95 -107.98 129.36 55.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.186 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.318 -0.761 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 pttp . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.408 0.623 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.46 -144.57 5.9 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.799 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.704 HD13 HG22 ' B' ' 43' ' ' ILE . 19.7 tt -153.88 130.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.24 0.543 . . . . 0.0 111.167 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.0 m -93.75 143.72 26.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.731 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -127.82 148.75 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 m -81.3 162.91 23.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.33 -45.43 76.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 2.4 mp0 -57.67 -48.95 78.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.38 -42.58 92.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.575 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.504 ' O ' ' HG2' ' A' ' 67' ' ' MET . 26.0 t80 -63.9 -45.64 88.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.566 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -35.34 79.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.423 HG22 HD21 ' B' ' 16' ' ' LEU . 56.6 m -57.69 -52.21 66.39 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.341 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 17.9 ptt? -62.06 -39.96 94.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.602 0.239 . . . . 0.0 110.472 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.479 HG21 HD23 ' B' ' 75' ' ' LEU . 94.0 t -61.96 -47.89 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.879 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.88 -46.75 77.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.616 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -63.48 -41.86 98.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.434 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.492 ' HA ' ' HB3' ' A' ' 74' ' ' ASN . 19.6 m-85 -75.36 -27.7 59.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.164 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.754 ' HG3' ' HE2' ' B' ' 72' ' ' LYS . 80.2 tttt -56.49 -40.01 74.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.91 39.28 2.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.952 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.492 ' HB3' ' HA ' ' A' ' 71' ' ' PHE . 3.7 t-20 -147.77 -75.34 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 111.56 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.521 ' HB3' HG11 ' B' ' 68' ' ' VAL . 22.3 tp -91.26 21.18 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.742 -169.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.517 ' HB3' ' HE3' ' B' ' 72' ' ' LYS . 3.8 pt-20 . . . . . 0 C--N 1.323 -0.551 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 172.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.657 ' HB ' ' HA ' ' B' ' 35' ' ' ASN . 27.9 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -157.7 136.61 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.901 0.382 . . . . 0.0 110.441 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -150.24 153.19 35.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.446 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.442 HD12 ' OD1' ' B' ' 30' ' ' ASN . 12.5 mm -93.76 102.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.415 ' OE1' ' HB2' ' B' ' 39' ' ' ALA . 11.0 pt-20 -83.34 -27.58 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -155.81 129.6 8.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.754 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -106.9 113.73 27.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.601 HD12 HG22 ' B' ' 29' ' ' ILE . 39.5 mt -57.37 -70.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 -167.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.616 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -158.07 146.17 18.69 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.154 0.502 . . . . 0.0 111.377 175.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 m -76.23 117.56 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.04 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.4 -58.94 3.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.774 0.321 . . . . 0.0 110.359 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.6 t -170.42 160.27 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -103.62 126.36 50.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.648 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.71 142.23 34.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.076 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.0 -19.63 32.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.913 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.12 -1.28 14.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.586 0.231 . . . . 0.0 111.359 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.32 26.81 27.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.568 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -115.5 158.64 22.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m -124.41 138.03 54.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.116 0.484 . . . . 0.0 111.053 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.5 ' HD2' HD11 ' A' ' 57' ' ' ILE . 35.8 ttpt -118.01 118.98 33.41 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 40.9 tt0 -140.0 152.6 46.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.714 -173.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.601 HG22 HD12 ' B' ' 15' ' ' LEU . 55.5 mt -101.92 123.16 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 173.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.578 HD22 ' H ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -131.36 174.77 9.74 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.997 -174.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.65 ' HG2' ' HB1' ' B' ' 39' ' ' ALA . 32.7 ttp85 -125.33 114.19 18.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 20.4 t -106.61 133.75 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.623 -169.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -83.75 103.15 12.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -91.75 112.34 24.22 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.428 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.657 ' HA ' ' HB ' ' B' ' 8' ' ' THR . 94.1 m-20 66.59 -70.7 0.1 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.273 0.983 . . . . 0.0 111.636 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.84 -136.7 8.85 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.25 54.8 13.31 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -85.25 -26.15 1.5 Allowed 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.784 1.656 . . . . 0.0 111.372 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' B' ' 31' ' ' ARG . . . 51.12 85.54 0.04 OUTLIER 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.56 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.12 158.71 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.767 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.566 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 46.7 m-85 -90.57 135.29 33.8 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -135.57 129.43 32.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.704 HG22 HD13 ' A' ' 57' ' ' ILE . 45.5 mt -109.39 115.03 48.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -142.74 163.05 33.86 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.489 0.662 . . . . 0.0 112.245 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.12 113.97 27.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.545 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . 0.402 ' HE1' ' HB3' ' B' ' 28' ' ' GLU . 61.8 p-90 -118.13 163.1 17.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.063 0.459 . . . . 0.0 111.489 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -177.459 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' B' ' 55' ' ' LYS . 25.1 mmtm . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 121.252 0.548 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . 0.469 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 168.77 -157.43 29.52 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -177.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 tt -158.84 135.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 117.542 0.671 . . . . 0.0 111.256 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 11.5 m -96.01 144.35 26.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.228 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -127.88 146.13 50.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.824 0.345 . . . . 0.0 110.477 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 6.3 m -85.27 173.87 10.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.398 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.566 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 5.2 p30 -54.06 -58.73 6.23 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.288 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.4 -42.72 96.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.336 . . . . 0.0 111.233 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.509 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 24.9 mt-10 -61.4 -48.27 81.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 -177.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.488 ' HD2' HD22 ' A' ' 75' ' ' LEU . 13.6 t80 -68.52 -38.72 81.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.414 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.37 -44.08 97.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.284 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.7 m -56.43 -44.95 80.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.473 ' HA ' HD13 ' A' ' 16' ' ' LEU . 57.1 ttp -59.22 -57.56 12.5 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.184 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.521 HG11 ' HB3' ' A' ' 75' ' ' LEU . 82.6 t -56.57 -54.39 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.652 -176.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' B' ' 72' ' ' LYS . 31.1 t70 -58.35 -49.26 77.84 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.862 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.607 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -63.92 -44.9 91.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.161 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -69.33 -42.49 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.754 ' HE2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.12 -26.48 68.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -175.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.43 8.49 64.38 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.576 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -126.04 -63.54 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.432 -0.452 . . . . 0.0 111.758 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.479 HD23 HG21 ' A' ' 68' ' ' VAL . 55.7 tp -93.03 87.71 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 111.079 -174.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.875 0.369 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 33' ' ' SER . 39.5 p90 -107.2 136.06 47.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.418 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -128.18 126.8 41.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.888 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 32' ' ' VAL . 52.4 mt -81.97 95.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 -50.41 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.788 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -127.19 151.95 48.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -118.51 137.89 52.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 HG22 ' A' ' 29' ' ' ILE . 2.0 mm? -88.31 -70.11 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.837 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' B' ' 70' ' ' ALA . 1.6 pt? -169.36 167.73 9.93 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 m -99.9 130.25 46.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 171.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -53.71 5.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -160.06 153.38 22.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.147 0.499 . . . . 0.0 111.548 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.14 113.94 19.65 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -109.95 140.65 43.7 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 63.7 24.07 13.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 pttp 46.32 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.375 1.07 . . . . 0.0 112.562 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -47.5 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.009 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -77.36 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.017 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.459 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 24.5 m -105.91 138.12 42.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.314 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -123.18 117.51 25.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -144.82 169.96 17.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -173.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.743 HG22 HD23 ' A' ' 15' ' ' LEU . 52.9 mt -126.87 133.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.942 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.517 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -148.45 169.39 20.34 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.74 -174.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 70.7 mtp180 -108.11 116.0 31.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.645 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 11' ' ' ILE . 15.8 t -122.5 135.63 61.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -176.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.532 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 18.0 m -96.9 104.4 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.191 175.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -89.91 92.71 9.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.604 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 61.28 19.67 10.35 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -135.46 173.24 21.82 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.703 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -81.47 -52.41 0.8 Allowed Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 59.1 Cg_endo -72.2 117.13 4.99 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.335 2.023 . . . . 0.0 112.859 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.86 108.67 12.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.552 ' HD2' ' HA ' ' A' ' 60' ' ' SER . 30.6 mtmt -84.09 169.99 14.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -86.04 114.19 22.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.555 ' HB2' HG22 ' A' ' 58' ' ' THR . 8.5 t70 -109.59 123.77 50.0 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.54 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.719 HG22 HD13 ' B' ' 57' ' ' ILE . 35.1 mt -100.15 111.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -126.44 131.99 51.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.261 0.553 . . . . 0.0 111.964 -170.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.79 107.4 15.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.409 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.459 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 54.7 p-90 -108.78 145.18 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.284 0.564 . . . . 0.0 111.742 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.886 179.63 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -156.63 149.3 20.08 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.93 137.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.769 0.319 . . . . 0.0 110.699 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 42' ' ' ASP . 51.6 p -98.54 121.55 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 0.0 110.739 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.9 146.56 27.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.027 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.552 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 8.5 m -80.28 159.97 25.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.489 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -51.2 -53.04 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.998 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.94 -40.11 95.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.473 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.64 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 109.774 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.525 ' O ' ' HG2' ' A' ' 67' ' ' MET . 4.1 t80 -65.75 -46.02 80.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.618 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -60.81 -38.89 86.94 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -55.26 -48.59 73.77 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.253 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.9 ptt? -69.68 -33.36 72.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.923 -177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.589 HG21 HD23 ' B' ' 75' ' ' LEU . 54.5 t -58.77 -52.7 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.219 -177.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.41 -38.82 91.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.532 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.54 72.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -79.74 -13.59 59.34 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.327 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.648 ' HE3' ' HG2' ' B' ' 76' ' ' GLU . 36.0 tttm -79.25 -18.84 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.495 0.664 . . . . 0.0 109.825 174.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.34 18.56 8.81 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.472 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.533 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 10.2 t30 -155.14 161.91 41.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 74' ' ' ASN . 27.7 tp 76.76 -60.2 0.47 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.421 0.45 . . . . 0.0 110.832 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.252 177.22 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -112.05 147.81 35.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -146.7 131.96 18.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.928 0.394 . . . . 0.0 111.107 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.564 HG13 HG22 ' B' ' 32' ' ' VAL . 4.0 mp -88.59 99.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -76.25 -59.13 2.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.078 -173.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.55 125.14 28.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -92.78 126.31 37.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' B' ' 41' ' ' PHE . 63.4 mt -70.04 -68.29 0.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.335 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' B' ' 28' ' ' GLU . 0.6 OUTLIER -155.52 152.37 28.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.193 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m -87.85 125.47 34.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.266 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.53 -55.46 5.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.922 0.391 . . . . 0.0 110.482 -177.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -169.13 179.79 3.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.528 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.26 109.44 11.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.508 ' N ' HD22 ' B' ' 21' ' ' ASN . 0.8 OUTLIER -95.99 135.6 37.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.427 -168.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 63.23 13.03 6.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.88 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? 56.23 71.56 0.55 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.229 0.537 . . . . 0.0 110.709 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.1 -34.86 0.49 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.08 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -107.56 103.21 12.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.146 0.498 . . . . 0.0 110.324 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 14.8 m -86.95 138.69 31.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -175.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.589 ' HD3' ' HB2' ' B' ' 45' ' ' ALA . 0.9 OUTLIER -106.05 115.64 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 44.0 tt0 -145.38 153.71 41.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.133 0.492 . . . . 0.0 111.698 -175.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.451 HG12 HG23 ' B' ' 43' ' ' ILE . 53.1 mt -108.74 114.8 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -136.93 156.6 48.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 0.0 111.004 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 20.4 mtm180 -90.75 126.44 36.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.788 0.328 . . . . 0.0 111.014 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.564 HG22 HG13 ' B' ' 11' ' ' ILE . 39.6 t -121.45 133.05 69.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.496 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -109.99 148.16 32.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.5 111.69 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.262 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 p30 49.1 24.2 0.88 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.566 1.147 . . . . 0.0 112.551 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.59 -161.08 20.11 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . 66.83 161.94 0.13 Allowed Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 122.944 0.497 . . . . 0.0 111.5 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.89 127.78 22.42 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.354 2.036 . . . . 0.0 111.786 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 125.27 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.014 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 90.4 mttt -87.61 165.87 15.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.407 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.405 ' HD1' HD11 ' B' ' 15' ' ' LEU . 28.8 m-85 -85.59 114.56 22.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' B' ' 58' ' ' THR . 36.0 t70 -111.26 116.88 31.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.084 0.468 . . . . 0.0 110.831 -176.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.451 HG23 HG12 ' B' ' 29' ' ' ILE . 51.2 mt -91.12 105.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -146.26 149.03 33.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.546 0.689 . . . . 0.0 112.435 -168.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' B' ' 27' ' ' LYS . . . -98.98 124.95 44.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.509 173.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . 0.419 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 32.4 p-90 -108.56 146.11 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 110.9 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.986 -170.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 mttp . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.35 168.64 38.02 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.827 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 43' ' ' ILE . 17.9 tt -143.9 136.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.094 0.474 . . . . 0.0 110.806 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 42' ' ' ASP . 4.9 m -96.97 139.93 32.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -124.42 138.67 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.6 m -82.94 170.6 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -55.58 -46.52 77.24 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.8 -55.75 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.706 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' B' ' 63' ' ' GLU . 21.1 mt-10 -58.76 -39.46 81.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.758 -175.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.558 ' O ' HG23 ' B' ' 68' ' ' VAL . 14.8 t80 -64.4 -53.09 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.195 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.42 HE21 ' HA ' ' B' ' 65' ' ' GLN . 0.0 OUTLIER -59.65 -30.28 68.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.306 179.026 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.9 m -59.93 -51.04 71.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.682 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.617 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 13.3 ptt? -66.73 -36.37 82.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.947 0.404 . . . . 0.0 110.116 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 64' ' ' PHE . 76.6 t -61.36 -40.31 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.139 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.05 -49.49 65.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.964 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 16' ' ' LEU . . . -61.81 -52.48 64.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.186 -174.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 27.6 m-85 -68.48 -31.47 70.77 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.622 -177.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.583 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 80.9 tttt -54.49 -43.04 71.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.184 0.516 . . . . 0.0 110.673 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.36 26.12 25.59 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -136.01 -62.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.791 0.296 . . . . 0.0 111.427 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 68' ' ' VAL . 14.7 tp -87.73 -0.19 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.003 0.43 . . . . 0.0 111.121 -171.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.648 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 8.2 tp10 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 170.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.039 0.447 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 33' ' ' SER . 38.0 p90 -145.0 139.37 27.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.646 178.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -137.22 152.74 50.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.64 0.257 . . . . 0.0 110.649 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.31 117.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.597 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 19.4 mm-40 -86.33 -44.32 12.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.355 0.598 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -154.36 145.07 22.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.596 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -103.29 123.22 46.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.527 HD12 HG22 ' A' ' 29' ' ' ILE . 82.1 mt -77.07 -66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.496 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' B' ' 67' ' ' MET . 0.5 OUTLIER -160.85 141.19 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.508 . . . . 0.0 110.503 176.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.628 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 15.4 m -88.97 125.95 35.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.66 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.549 HD12 ' HD2' ' A' ' 27' ' ' LYS . 62.8 mt -79.53 -66.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.755 0.312 . . . . 0.0 110.673 -176.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.454 ' HG ' ' HG2' ' B' ' 63' ' ' GLU . 6.6 m -140.8 150.78 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.943 0.401 . . . . 0.0 110.97 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.37 112.0 24.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.179 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -76.07 127.82 33.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.91 -14.17 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 111.278 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -70.06 -13.2 62.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 47' ' ' SER . . . 106.92 32.22 3.62 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.832 176.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.41 ' HD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 m0 -135.73 117.5 15.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.668 0.271 . . . . 0.0 110.787 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -94.49 138.31 32.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.588 0.232 . . . . 0.0 110.521 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HD2' HD12 ' A' ' 18' ' ' LEU . 3.9 tmmm? -113.61 115.55 28.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.628 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 19.6 pt-20 -143.18 176.07 9.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.556 HG12 HG23 ' A' ' 43' ' ' ILE . 38.2 mt -119.4 118.48 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.43 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.47 164.51 22.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.023 0.439 . . . . 0.0 111.276 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 74.4 mtp180 -98.25 118.11 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 46.8 t -115.77 133.63 61.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 7.1 p -94.15 114.21 26.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.26 117.56 31.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.083 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 m120 61.78 25.65 15.46 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.89 -123.06 1.19 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.896 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.639 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -130.55 46.13 2.09 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 177.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 34.4 Cg_endo -98.87 86.85 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.468 2.112 . . . . 0.0 110.885 169.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.597 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -71.98 94.08 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.668 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 94.6 mttt -92.75 179.54 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.019 177.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -109.35 115.48 30.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 58' ' ' THR . 18.2 t70 -116.61 128.85 55.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 -176.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.682 HG22 HD13 ' B' ' 57' ' ' ILE . 24.8 mt -105.67 111.31 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.534 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 11.2 ttm180 -147.69 155.08 41.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.106 0.479 . . . . 0.0 111.908 -170.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -106.39 120.94 43.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.909 172.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -157.59 156.36 31.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.64 -177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.489 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 70.5 m . . . . . 0 CA--C 1.538 0.515 0 O-C-N 123.419 0.449 . . . . 0.0 111.156 171.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.901 ' HG3' ' HA ' ' B' ' 57' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.625 0.726 . . . . 0.0 111.969 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.534 ' HA3' ' HG3' ' A' ' 44' ' ' ARG . . . -166.91 118.71 0.81 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.8 tt -145.14 143.81 21.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.164 0.507 . . . . 0.0 111.399 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 3.0 m -92.79 142.75 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.139 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.0 mt -116.0 140.91 48.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -79.71 163.09 24.79 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -57.09 -46.2 82.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.23 -45.96 89.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.639 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.29 -39.47 94.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 110.287 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.626 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.1 t80 -64.08 -51.92 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.456 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.22 -35.08 71.15 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 111.261 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -59.24 -50.52 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -70.57 -24.62 62.8 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 -178.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 64' ' ' PHE . 75.8 t -57.65 -57.09 11.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.912 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 20.2 t70 -61.91 -46.18 90.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.993 0.425 . . . . 0.0 111.018 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' B' ' 16' ' ' LEU . . . -53.76 -56.15 20.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.157 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.574 ' HB2' ' HE3' ' B' ' 72' ' ' LYS . 50.7 m-85 -83.62 -1.25 53.49 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.959 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.912 ' HE2' ' HA ' ' A' ' 69' ' ' ASP . 22.4 ttpt -77.19 -24.52 51.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.55 19.56 26.17 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.911 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 43.1 t-20 -148.53 122.5 9.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.588 HD23 HG21 ' B' ' 68' ' ' VAL . 59.6 tp 74.37 -67.97 0.23 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.701 0.626 . . . . 0.0 111.015 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 111.921 -179.694 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -108.34 129.94 55.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.158 0.504 . . . . 0.0 110.514 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' B' ' 33' ' ' SER . 6.8 mm-40 -112.93 122.51 47.84 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.4 mm -90.58 90.36 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.43 -35.87 22.75 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.274 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -158.75 142.59 15.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.065 0.46 . . . . 0.0 111.333 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.485 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.3 OUTLIER -106.68 142.89 35.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.506 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.627 HD23 HG22 ' B' ' 29' ' ' ILE . 2.4 mm? -72.4 -54.08 10.4 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 1.6 pt? -164.5 159.17 19.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.902 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.587 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 32.0 m -99.98 121.67 41.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.46 175.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.04 -63.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 p 178.87 167.77 0.92 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.734 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 14.0 pt-20 -110.9 138.94 46.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -110.82 148.93 31.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.669 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 64.93 9.05 5.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.739 0.65 . . . . 0.0 111.529 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' B' ' 23' ' ' LYS . 19.8 tptm 55.35 95.8 0.02 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 110.538 -173.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.8 -48.25 0.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.059 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -81.84 88.04 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.163 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 22.0 m -86.73 137.97 32.01 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.979 -178.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HB3' ' HE2' ' B' ' 27' ' ' LYS . 35.8 ttpt -127.67 127.91 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.587 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 17.2 pt-20 -156.69 -176.91 6.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 110.966 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.653 HG12 HG12 ' B' ' 43' ' ' ILE . 53.4 mt -120.09 130.27 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.433 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.1 OUTLIER -141.6 176.22 9.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.513 0.197 . . . . 0.0 111.084 -175.345 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.425 ' HB3' ' CB ' ' B' ' 39' ' ' ALA . 46.6 mtm105 -111.49 117.85 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.263 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 t -107.45 121.89 60.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.613 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.523 ' HB2' ' HB2' ' B' ' 10' ' ' GLU . 0.8 OUTLIER -84.2 110.03 18.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -93.33 137.32 32.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.882 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 72.32 -68.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.878 0.736 . . . . 0.0 111.233 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.12 48.28 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . -140.75 172.97 5.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -174.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 2.1 Cg_endo -43.22 143.34 2.18 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 123.2 2.6 . . . . 0.0 112.553 173.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -77.06 140.83 40.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.803 -173.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -101.13 154.94 18.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.135 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -74.91 125.47 28.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -131.57 133.11 44.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.91 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.653 HG12 HG12 ' B' ' 29' ' ' ILE . 56.2 mt -108.55 114.82 47.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -144.24 169.36 18.04 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.882 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.59 150.04 31.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.746 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -107.32 125.17 50.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.855 -179.335 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.339 0.59 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.61 -146.88 12.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.901 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 18.7 tt -143.1 138.66 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.15 0.5 . . . . 0.0 111.244 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.71 140.63 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.305 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.0 mt -123.76 138.11 54.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.292 0.568 . . . . 0.0 110.407 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.746 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 20.3 m -83.54 171.46 13.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.101 175.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.98 -55.66 32.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.6 0.238 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.35 -35.06 79.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.95 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.746 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 30.3 mt-10 -62.79 -50.3 71.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.195 0.521 . . . . 0.0 109.962 177.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.535 ' O ' HG23 ' B' ' 68' ' ' VAL . 31.9 t80 -59.8 -46.82 88.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -53.27 -46.22 69.16 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 69.1 m -56.88 -48.13 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -70.81 -34.72 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.553 -175.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.779 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 69.0 t -59.1 -64.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.264 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.84 -37.09 80.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 0.0 111.17 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.48 57.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.471 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.779 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 34.0 mmtt -69.66 -25.46 63.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.87 30.7 8.43 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.745 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -150.89 -59.82 0.18 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.84 0.32 . . . . 0.0 111.117 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 68' ' ' VAL . 29.6 tp -78.17 -19.25 54.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.369 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.917 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -152.76 134.29 14.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.0 0.429 . . . . 0.0 111.026 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -140.23 153.43 46.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.994 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.559 HG12 HG22 ' A' ' 32' ' ' VAL . 51.8 mt -92.98 115.94 32.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -91.42 -23.5 20.01 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.654 -175.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -157.34 141.93 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 111.113 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -101.22 116.39 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 29' ' ' ILE . 92.4 mt -65.66 -58.98 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -176.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.8 153.92 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 m -102.14 123.29 45.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.97 -57.3 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.035 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 p -167.79 -179.49 4.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.29 0.567 . . . . 0.0 112.164 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -122.48 116.01 23.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.558 173.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -106.64 152.32 23.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.414 0.626 . . . . 0.0 112.495 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 61.43 -89.29 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.317 168.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -131.31 26.8 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 111.417 -173.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.64 3.76 23.55 Favored Glycine 0 CA--C 1.506 -0.494 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.743 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -64.48 104.61 0.81 Allowed 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 1.6 p -85.68 136.4 33.38 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.421 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 32.8 ttpt -120.0 116.13 25.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.962 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -141.83 175.89 9.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.06 0.457 . . . . 0.0 111.147 -173.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.554 HG22 HD12 ' A' ' 15' ' ' LEU . 54.5 mt -125.19 114.9 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.909 176.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.68 168.0 18.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.584 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 17.3 mtm180 -108.72 124.44 50.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.559 HG22 HG12 ' A' ' 11' ' ' ILE . 50.4 t -109.34 120.78 61.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -176.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 8.1 p -82.55 109.28 16.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.93 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.58 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 94.3 m-85 -87.77 124.24 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.843 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 p30 48.52 22.64 0.51 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.417 1.087 . . . . 0.0 113.169 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.54 -93.75 0.54 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.515 173.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.576 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -65.72 -55.75 21.69 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 34' ' ' PHE . 16.0 Cg_exo -67.54 95.15 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.483 2.122 . . . . 0.0 113.287 -173.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -97.58 98.83 10.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -99.71 174.5 6.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -88.38 136.76 32.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 44' ' ' ARG . 7.5 t70 -138.46 121.39 16.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.668 -176.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.482 HG12 HG12 ' A' ' 29' ' ' ILE . 56.3 mt -103.77 120.68 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.415 ' HB2' ' OD1' ' A' ' 42' ' ' ASP . 32.7 ttm180 -140.64 135.91 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -112.83 106.92 15.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.131 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -114.41 147.12 39.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.167 0.508 . . . . 0.0 112.168 -172.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.729 178.768 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.929 0.395 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.77 -175.2 33.56 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.437 HD13 HG22 ' B' ' 43' ' ' ILE . 20.9 tt -149.54 139.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -85.77 129.72 34.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.137 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.18 168.14 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.19 0.519 . . . . 0.0 111.313 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.0 m -127.18 178.33 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.197 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.25 -42.2 99.15 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 111.355 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.02 -49.93 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.5 0.667 . . . . 0.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -61.16 -45.1 96.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.031 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.684 ' HA ' ' HE2' ' A' ' 67' ' ' MET . 0.2 OUTLIER -58.86 -49.7 76.75 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.007 -179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' NE2' ' HB3' ' B' ' 75' ' ' LEU . 6.7 mm-40 -58.79 -42.49 89.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.31 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -57.7 -47.05 83.45 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.448 0.468 . . . . 0.0 110.634 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.684 ' HE2' ' HA ' ' A' ' 64' ' ' PHE . 39.7 mtm -58.5 -36.97 74.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.015 0.436 . . . . 0.0 110.652 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 64' ' ' PHE . 59.3 t -61.57 -56.52 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.483 -176.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.38 -43.42 66.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.089 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -63.06 -49.56 74.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.595 -176.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -74.77 -15.28 60.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 111.032 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.623 ' HB2' ' O ' ' A' ' 68' ' ' VAL . 81.1 tttt -67.42 -33.17 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.88 -16.61 18.85 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.197 -178.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.496 ' C ' HD22 ' A' ' 74' ' ' ASN . 0.2 OUTLIER -93.65 -53.31 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.139 0.469 . . . . 0.0 111.521 -176.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.675 HD23 HG21 ' B' ' 68' ' ' VAL . 21.2 tp -95.67 126.9 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 0.0 111.325 -172.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.588 ' HB2' ' NE2' ' B' ' 65' ' ' GLN . 4.3 tp10 . . . . . 0 N--CA 1.465 0.303 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.613 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' B' ' 33' ' ' SER . 22.4 p90 -109.64 126.86 54.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.42 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -151.51 153.14 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.88 128.05 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.881 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -105.57 -34.51 7.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.761 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -153.07 139.03 18.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.665 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -112.36 133.86 54.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.531 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.24 -53.95 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.623 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -131.27 99.12 4.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.752 -170.428 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -81.36 97.57 7.77 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.578 HD23 HD12 ' B' ' 16' ' ' LEU . 90.4 mt -67.32 -68.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.076 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p 174.86 -174.95 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.81 0.693 . . . . 0.0 109.211 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 11.8 pt-20 -108.66 139.56 43.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.589 HD22 ' HG3' ' B' ' 22' ' ' GLU . 2.6 p-10 -116.15 156.46 26.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.151 0.5 . . . . 0.0 111.066 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.589 ' HG3' HD22 ' B' ' 21' ' ' ASN . 30.3 mt-10 59.01 20.09 7.88 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.558 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 62.16 98.83 0.03 OUTLIER 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.943 0.777 . . . . 0.0 111.451 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 -44.26 1.51 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.199 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -84.0 103.55 13.33 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.443 0.621 . . . . 0.0 110.412 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 4.8 m -86.54 138.29 31.84 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.039 -174.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.571 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 6.1 ttpm? -128.65 120.67 26.98 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.484 -173.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -142.97 158.42 43.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.8 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.64 HG12 HG12 ' B' ' 43' ' ' ILE . 43.9 mt -104.99 109.97 29.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -131.47 -176.9 4.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 74.6 mtp180 -110.94 116.1 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.53 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -104.94 123.1 58.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 49.7 m -84.81 131.78 34.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.152 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.44 101.04 10.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.173 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 70.23 -73.6 0.09 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.254 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.18 -82.95 1.58 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.576 -170.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 1.036 ' H ' ' HD2' ' B' ' 38' ' ' PRO . . . -132.44 -46.48 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -172.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 1.036 ' HD2' ' H ' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -48.97 112.23 0.61 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 123.083 2.522 . . . . 0.0 113.784 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -106.46 98.52 8.18 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.693 174.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 15.7 tptt -86.26 166.27 15.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.746 -173.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -90.37 129.94 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.515 ' CG ' ' HE ' ' B' ' 44' ' ' ARG . 7.9 t0 -142.37 139.77 31.83 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.461 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.64 HG12 HG12 ' B' ' 29' ' ' ILE . 41.9 mt -95.84 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.515 ' HE ' ' CG ' ' B' ' 42' ' ' ASP . 7.6 mmt180 -113.61 139.68 48.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.186 0.517 . . . . 0.0 112.297 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.47 107.46 16.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.828 170.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -107.96 151.29 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.406 0.622 . . . . 0.0 111.433 -174.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.211 -175.314 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . 0.403 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -167.91 -179.2 40.37 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.461 HD13 HG22 ' A' ' 43' ' ' ILE . 15.4 tt -147.7 127.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 0.0 110.699 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.0 m -86.86 135.81 33.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.568 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 81.2 mt -127.72 140.57 51.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -91.16 162.21 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -56.86 -38.28 72.5 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.36 -50.65 72.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.23 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -67.37 -35.14 78.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.966 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 75' ' ' LEU . 2.5 t80 -59.38 -50.55 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.408 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.588 ' NE2' ' HB2' ' A' ' 76' ' ' GLU . 6.7 tp-100 -65.82 -30.83 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.775 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.6 m -55.0 -47.87 74.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.643 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 20.7 ptt? -71.94 -37.73 69.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.843 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.678 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 95.5 t -58.67 -57.99 8.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.764 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.59 -46.84 83.53 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 120.744 0.307 . . . . 0.0 111.618 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -41.42 86.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 0.0 111.403 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 68' ' ' VAL . 20.7 m-30 -76.2 -15.05 60.12 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 28.1 mmtm -71.44 -32.43 68.33 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 171.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.21 -41.3 6.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.111 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -75.35 -61.27 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.817 0.309 . . . . 0.0 111.507 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.502 ' HB2' HG21 ' A' ' 68' ' ' VAL . 5.6 mp -88.69 162.72 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.468 0.47 0 O-C-N 123.928 0.768 . . . . 0.0 110.044 -176.673 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 35' ' ' ASN . 19.1 p . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -109.1 120.29 42.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.468 0.652 . . . . 0.0 111.042 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.724 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 2.8 mp0 -105.14 111.58 24.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.16 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -88.62 103.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -99.46 -32.64 11.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.271 -169.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 10.7 tp10 -143.82 141.14 30.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.625 0.25 . . . . 0.0 111.095 -172.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -107.26 99.04 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.65 -66.88 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 111.743 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.9 OUTLIER -134.38 114.63 13.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -171.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.6 m -87.24 107.12 18.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 16' ' ' LEU . 91.7 mt -71.43 -74.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.631 -177.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -165.66 162.5 18.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.912 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -105.57 141.78 36.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.227 0.536 . . . . 0.0 109.967 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -105.97 131.24 53.51 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.021 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 60.88 21.0 11.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.235 174.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.42 95.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.502 0.501 . . . . 0.0 111.222 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.47 -43.36 1.34 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.034 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.48 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 61.2 m95 -84.37 91.82 7.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.084 0.442 . . . . 0.0 110.056 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.499 ' HB ' ' HD1' ' A' ' 46' ' ' TRP . 17.1 m -85.89 137.19 32.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.385 -172.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -121.78 116.03 23.74 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.164 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.14 163.9 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.391 0.615 . . . . 0.0 111.435 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.574 HG12 HG12 ' A' ' 43' ' ' ILE . 58.3 mt -107.08 117.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.211 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -133.11 179.73 6.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 22.1 mtp85 -113.99 119.49 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 -177.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.79 131.4 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.963 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 23.3 t -95.84 146.93 24.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -123.21 112.27 17.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.791 0.329 . . . . 0.0 110.713 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.433 ' HA ' ' OG1' ' A' ' 8' ' ' THR . 8.4 m120 64.53 22.96 12.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.514 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.8 81.15 0.77 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.198 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -152.84 175.08 3.16 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.2 Cg_exo -50.22 126.36 17.17 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.87 1.713 . . . . 0.0 111.199 171.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 112.41 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.038 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -82.71 172.0 13.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.656 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 30.2 m-85 -101.98 114.86 29.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.137 -173.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -117.3 133.87 55.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.096 0.474 . . . . 0.0 110.605 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.574 HG12 HG12 ' A' ' 29' ' ' ILE . 39.4 mt -113.65 104.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.545 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.595 ' HB3' ' HA3' ' A' ' 56' ' ' GLY . 18.7 ptp180 -141.9 176.6 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 112.005 -175.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.19 152.88 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.499 ' HD1' ' HB ' ' A' ' 26' ' ' THR . 66.7 m95 -108.13 130.96 55.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.234 0.25 0 O-C-N 123.665 0.603 . . . . 0.0 110.515 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt . . . . . 0 C--O 1.235 0.328 0 CA-C-O 121.365 0.603 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.595 ' HA3' ' HB3' ' A' ' 44' ' ' ARG . . . -179.06 153.53 12.57 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.593 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 13.9 tt -120.47 132.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.219 0.533 . . . . 0.0 111.118 -174.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -95.76 130.29 42.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.435 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.26 147.56 41.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.0 p -82.71 173.68 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.189 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.46 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 7.9 t30 -60.11 -43.48 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -56.49 -53.92 51.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.623 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.89 -44.54 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' A' ' 67' ' ' MET . 18.0 t80 -64.76 -48.34 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.265 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -65.33 -37.69 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -54.26 -53.21 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.436 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 20.6 ptt? -64.28 -37.47 87.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.657 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.65 HG21 HD23 ' B' ' 75' ' ' LEU . 56.0 t -58.83 -50.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.044 -178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 12.7 t70 -74.98 -40.81 60.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.043 0.449 . . . . 0.0 110.972 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB1' HD22 ' B' ' 16' ' ' LEU . . . -61.87 -44.46 96.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.277 -178.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' B' ' 29' ' ' ILE . 52.6 m-85 -78.16 -32.31 50.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.701 ' HB2' ' HG3' ' B' ' 72' ' ' LYS . 0.0 OUTLIER -65.89 -24.78 66.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.345 179.607 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.68 11.49 72.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.971 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.463 ' C ' HD22 ' A' ' 74' ' ' ASN . 0.2 OUTLIER -140.06 -50.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.528 0.664 . . . . 0.0 111.516 -176.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 35.7 tp -120.11 21.18 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.591 0.234 . . . . 0.0 111.585 -171.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.706 ' HB2' ' HE2' ' B' ' 72' ' ' LYS . 12.7 pt-20 . . . . . 0 C--N 1.327 -0.405 0 O-C-N 122.017 -0.427 . . . . 0.0 110.765 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.504 ' HA ' ' O ' ' B' ' 33' ' ' SER . 32.9 p90 -106.82 123.43 48.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -117.37 145.86 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.734 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.0 mt -88.8 99.11 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -86.25 -32.22 21.25 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.27 137.6 16.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.153 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -105.45 108.23 19.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.484 HD12 HG22 ' B' ' 29' ' ' ILE . 94.5 mt -72.94 -71.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.398 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.414 HD22 ' HB1' ' A' ' 70' ' ' ALA . 2.7 pp -165.33 150.03 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.695 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.63 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 56.1 m -91.28 134.66 34.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.44 -53.33 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -170.45 157.99 6.24 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.473 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 3.3 tm-20 -127.05 103.29 7.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 171.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -116.8 176.74 4.98 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.355 0.597 . . . . 0.0 112.427 -171.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 70.69 -80.22 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.397 175.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -158.06 22.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.76 -0.08 5.75 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.961 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -75.06 96.81 3.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.872 0.844 . . . . 0.0 109.708 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' B' ' 45' ' ' ALA . 5.4 m -92.81 138.81 31.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.908 -172.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.43 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -119.33 120.77 37.91 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 174.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.63 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 11.5 pt-20 -155.56 171.42 19.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 111.162 178.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.747 HG12 HG12 ' B' ' 43' ' ' ILE . 47.5 mt -113.56 132.83 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.537 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.516 HD22 ' H ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -141.75 175.16 9.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -174.424 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.0 mtp85 -111.6 105.73 14.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.701 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.97 126.54 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.504 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 63.0 p -97.36 147.38 24.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.457 ' H ' ' HB3' ' B' ' 37' ' ' ALA . 95.8 m-85 -115.99 108.05 15.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.797 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 62.86 -80.59 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.084 0.865 . . . . 0.0 111.839 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.84 17.07 3.94 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.897 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' H ' ' B' ' 34' ' ' PHE . . . -71.08 154.23 94.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 C-N-CA 121.986 0.114 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 14.01 0.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.973 2.449 . . . . 0.0 113.215 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . 70.31 132.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.703 0.801 . . . . 0.0 112.314 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 33.4 mmtp -102.22 172.27 6.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.21 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -107.16 114.34 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.497 ' OD1' ' HB2' ' B' ' 44' ' ' ARG . 3.1 p30 -129.21 148.86 51.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 -178.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.747 HG12 HG12 ' B' ' 29' ' ' ILE . 33.2 mt -97.38 106.32 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.727 175.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.497 ' HB2' ' OD1' ' B' ' 42' ' ' ASP . 6.8 ttm180 -123.86 165.92 16.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.049 0.452 . . . . 0.0 111.333 -170.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' B' ' 26' ' ' THR . . . -117.87 132.76 56.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.691 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -108.85 152.52 24.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--N 1.327 -0.379 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.66 -173.086 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.593 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 14.9 ptpt . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.784 0.326 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 135.08 49.53 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.7 tt -120.39 137.47 54.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.101 0.477 . . . . 0.0 111.089 -170.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.423 HG23 ' HB3' ' B' ' 42' ' ' ASP . 12.8 m -93.59 143.89 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.455 -174.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.29 148.05 46.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.792 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.1 p -85.84 169.25 13.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.63 -44.28 81.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 0.0 111.144 -176.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -64.32 -47.76 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.636 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.12 -43.69 97.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.305 0.574 . . . . 0.0 110.351 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.53 ' O ' ' HG2' ' B' ' 67' ' ' MET . 23.3 t80 -60.4 -48.25 82.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -55.68 -44.02 76.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.81 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.51 ' HA ' ' OD2' ' B' ' 69' ' ' ASP . 23.4 m -61.73 -42.91 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.238 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 12.9 ptt? -65.37 -33.12 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.01 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.508 HG21 HD23 ' A' ' 75' ' ' LEU . 85.8 t -67.32 -50.51 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.51 ' OD2' ' HA ' ' B' ' 66' ' ' THR . 1.9 p30 -75.0 -38.42 61.61 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.767 -173.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.628 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -69.68 -40.77 76.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.418 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.41 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 9.9 m-85 -71.24 -30.96 66.96 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.896 177.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.706 ' HE2' ' HB2' ' A' ' 76' ' ' GLU . 6.3 ttmt -58.97 -37.74 77.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.175 0.512 . . . . 0.0 110.112 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.56 18.49 57.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -133.44 -77.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.05 0.425 . . . . 0.0 111.056 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.65 HD23 HG21 ' A' ' 68' ' ' VAL . 54.0 tp -72.33 121.16 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.755 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--N 1.332 -0.192 0 O-C-N 124.206 0.941 . . . . 0.0 111.224 177.317 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.445 -0.685 0 CA-C-O 121.029 0.442 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.453 ' HA ' ' O ' ' A' ' 33' ' ' SER . 25.6 p90 -120.02 119.86 34.64 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.069 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 1.0 OUTLIER -129.52 153.37 48.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.421 -176.121 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.5 mt -96.39 91.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.237 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -77.54 -45.0 26.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.583 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -139.26 138.3 36.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.345 0.593 . . . . 0.0 111.922 -173.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.36 142.42 27.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.615 171.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.562 HD12 HG22 ' A' ' 29' ' ' ILE . 95.6 mt -87.02 -54.35 4.38 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.1 pt? -166.29 135.26 3.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.983 173.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.544 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 41.0 m -83.75 119.71 25.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.68 -77.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.659 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -165.0 166.91 18.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.134 0.492 . . . . 0.0 110.328 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 33.5 tt0 -92.24 146.29 23.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.312 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -112.43 158.46 19.82 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.5 mp0 -51.96 150.66 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.74 0.65 . . . . 0.0 112.39 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 1.5 mptm? 74.19 5.7 4.68 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.296 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 60.61 1.66 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.043 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -134.67 109.15 8.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 5.4 m -85.42 138.21 32.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -125.14 125.77 44.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.947 0.403 . . . . 0.0 110.056 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.544 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 21.1 pt-20 -148.74 172.53 14.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.957 -175.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.562 HG22 HD12 ' A' ' 15' ' ' LEU . 52.8 mt -112.95 123.49 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.545 ' H ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -136.25 175.08 9.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.251 -171.278 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -114.74 124.77 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.592 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.08 130.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.453 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.537 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 46.1 m -95.05 144.59 25.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.166 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.11 98.21 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.573 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 m120 54.73 25.48 6.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.325 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -170.42 174.61 44.42 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.783 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.22 -47.43 20.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 75.2 Cg_exo -48.7 104.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.948 2.432 . . . . 0.0 112.965 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB2' ' OG ' ' A' ' 33' ' ' SER . . . -104.6 121.46 43.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.787 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -97.35 174.58 6.63 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.502 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.517 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 24.4 m-85 -81.71 135.49 35.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.407 -167.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -144.36 134.78 24.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.44 HG22 HD13 ' B' ' 57' ' ' ILE . 56.4 mt -111.6 118.0 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ttp-105 -147.68 150.2 33.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.229 0.538 . . . . 0.0 111.745 -171.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.89 132.98 54.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.335 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -156.84 154.49 29.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.583 0.23 . . . . 0.0 111.147 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 CA--C 1.538 0.503 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 175.073 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mttp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.159 0.504 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.85 150.27 21.6 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.6 127.71 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.365 0.602 . . . . 0.0 110.844 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.9 m -97.03 132.66 42.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.35 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.24 146.4 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.974 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.588 ' HB2' ' OE1' ' A' ' 63' ' ' GLU . 14.5 m -86.0 168.99 13.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.517 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 25.0 p-10 -55.33 -41.43 72.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.089 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.91 -58.56 7.46 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.588 ' OE1' ' HB2' ' A' ' 60' ' ' SER . 1.8 mp0 -60.09 -43.94 95.17 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.494 ' O ' ' HG2' ' A' ' 67' ' ' MET . 24.0 t80 -64.7 -45.07 88.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.464 ' OE1' ' HB3' ' B' ' 76' ' ' GLU . 6.2 tp-100 -62.68 -45.01 94.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.248 175.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.7 m -58.53 -47.48 84.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 11.4 ptt? -61.92 -37.37 84.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.329 . . . . 0.0 110.177 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.736 HG21 HD22 ' B' ' 75' ' ' LEU . 29.2 t -65.17 -40.69 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.731 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.94 -50.96 72.08 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.325 0.583 . . . . 0.0 109.744 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.37 94.48 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.431 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.439 ' HZ ' HG21 ' B' ' 29' ' ' ILE . 14.7 m-85 -73.7 -26.14 60.57 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 17.0 pttm -85.55 -4.94 59.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.652 173.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.92 -12.63 55.17 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.002 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -144.34 -171.27 3.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 117.555 0.677 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.41 ' CD2' HG21 ' B' ' 68' ' ' VAL . 32.3 tp 69.57 -63.97 0.36 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.674 0.789 . . . . 0.0 111.985 175.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 121.939 0.876 . . . . 0.0 109.384 177.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.445 -0.675 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.463 ' HB2' ' CG1' ' B' ' 32' ' ' VAL . 38.5 p90 -125.29 145.7 49.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.812 -178.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -130.85 143.86 51.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.909 0.385 . . . . 0.0 110.571 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -79.57 103.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.624 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 63.3 mm-40 -72.01 -43.7 64.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.456 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -147.05 114.42 6.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.442 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.51 HD12 HG22 ' B' ' 29' ' ' ILE . 96.0 mt -75.11 -63.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.455 -174.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 67' ' ' MET . 75.5 mt -143.99 143.84 31.4 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.533 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 17.0 m -106.38 102.53 11.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 166.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.533 HD11 HD11 ' B' ' 29' ' ' ILE . 68.4 mt -81.48 -58.33 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -169.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -157.75 165.17 36.06 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.741 -0.784 . . . . 0.0 112.946 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.588 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 0.2 OUTLIER -132.9 129.71 38.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 164.481 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.488 ' HB3' ' HB2' ' B' ' 25' ' ' TRP . 28.5 t-20 -95.09 124.54 39.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.939 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.457 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 12.7 mm-40 54.21 34.92 21.37 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 124.005 0.816 . . . . 0.0 110.014 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.7 tttp 42.36 73.34 0.14 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.238 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.6 -60.53 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.198 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.488 ' HB2' ' HB3' ' B' ' 21' ' ' ASN . 81.0 m95 -82.85 96.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.982 0.42 . . . . 0.0 109.924 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.588 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 75.7 p -86.59 168.74 13.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.475 -175.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 8.0 ttpm? -146.83 113.72 6.12 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 5.3 mp0 -124.05 166.49 15.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.149 -173.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.533 HD11 HD11 ' B' ' 18' ' ' LEU . 62.0 mt -127.61 133.36 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.079 176.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.501 HD22 ' N ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -157.48 161.15 38.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -176.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.57 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 60.8 mtm180 -98.19 125.93 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.435 174.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' B' ' 9' ' ' PHE . 47.1 t -117.75 135.73 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.259 -174.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.3 p -103.14 139.43 38.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.806 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -111.83 107.28 16.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 62.13 -78.81 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.828 0.705 . . . . 0.0 111.495 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.2 35.93 1.13 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.31 153.26 41.28 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 147.66 55.82 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.041 2.494 . . . . 0.0 112.331 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -63.73 119.68 10.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.708 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -105.63 168.49 9.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.741 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.558 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 75.7 m-85 -96.3 130.29 43.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -119.07 120.07 36.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.103 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.508 HD13 HG23 ' B' ' 29' ' ' ILE . 18.8 mm -106.23 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -146.02 144.95 30.4 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.171 -168.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -100.72 148.63 24.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.969 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -125.23 145.08 50.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.2 p . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.453 179.623 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.728 0.299 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.74 179.39 40.62 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.648 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 43' ' ' ILE . 19.7 tt -139.42 137.11 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.058 0.456 . . . . 0.0 110.817 -178.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 19.4 m -93.02 131.57 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.55 140.13 45.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.073 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.8 m -74.72 159.29 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.201 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.558 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 9.9 m120 -60.08 -38.62 83.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -177.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' B' ' 62' ' ' GLU . 30.8 mp0 -70.16 -46.97 63.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.459 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.93 -38.69 86.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.311 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.415 ' O ' ' HG2' ' B' ' 67' ' ' MET . 36.8 t80 -63.92 -46.25 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.426 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -58.7 -40.78 84.64 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 109.818 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.5 m -58.67 -50.73 72.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.643 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.618 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.4 ptt? -64.54 -39.79 94.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.657 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 42.6 t -61.52 -43.41 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.23 -176.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.61 ' HA ' ' HG2' ' B' ' 72' ' ' LYS . 36.8 t70 -66.48 -35.55 80.56 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.063 0.459 . . . . 0.0 110.659 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.88 74.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.417 ' HB3' HG22 ' A' ' 68' ' ' VAL . 20.6 m-85 -81.39 -32.56 32.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.663 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.61 ' HG2' ' HA ' ' B' ' 69' ' ' ASP . 9.5 ptmm? -72.43 -15.3 61.83 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.53 37.5 1.62 Allowed Glycine 0 CA--C 1.522 0.512 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.707 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 76.89 96.98 0.07 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.849 0.86 . . . . 0.0 112.518 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.736 HD22 HG21 ' A' ' 68' ' ' VAL . 16.6 tp -107.02 -48.9 3.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.451 172.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.518 ' H ' ' CD ' ' B' ' 76' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.332 -175.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -130.72 141.22 50.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.894 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -143.5 144.23 31.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.19 123.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 0.0 110.502 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.07 -56.92 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -146.27 121.07 9.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.663 -171.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -95.54 129.62 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 172.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 mt -94.83 -34.93 12.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.85 -169.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.8 OUTLIER -152.45 116.51 4.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -171.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.634 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 52.2 m -92.13 116.76 29.22 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 16' ' ' LEU . 95.3 mt -88.87 -68.78 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.966 -171.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -152.32 174.76 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.501 0.667 . . . . 0.0 112.671 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -124.76 114.41 19.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.446 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.564 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 15.9 m120 -96.18 177.81 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.495 -172.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 1.6 mp0 -47.33 140.05 5.87 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.702 -1.136 . . . . 0.0 112.118 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 tptp 73.24 7.2 5.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.531 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.92 27.68 25.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.364 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.0 m0 -88.19 105.89 17.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.7 m -85.84 138.21 32.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.899 0.381 . . . . 0.0 110.079 -174.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HE3' ' OD1' ' A' ' 21' ' ' ASN . 37.4 ttmt -118.51 120.3 37.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.801 -175.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.634 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 15.2 pt-20 -157.8 169.23 25.08 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.415 0.626 . . . . 0.0 111.514 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.545 HG12 HG23 ' A' ' 43' ' ' ILE . 67.4 mt -109.84 124.61 66.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.336 -175.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 14' ' ' HIS . 7.2 p30 -143.57 174.57 10.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.997 0.427 . . . . 0.0 111.436 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 69.3 mtp180 -114.71 123.4 49.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.184 178.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.53 132.98 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 t -92.98 125.84 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.48 98.59 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.588 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 65.52 -82.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.982 0.801 . . . . 0.0 110.819 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.18 66.95 0.4 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.09 159.09 57.23 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.81 129.76 36.89 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.623 2.215 . . . . 0.0 111.844 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -56.68 108.77 0.53 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.421 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -81.7 148.96 28.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.113 -175.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -76.89 128.76 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.236 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 44' ' ' ARG . 10.1 t70 -137.12 123.4 20.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.958 0.409 . . . . 0.0 110.582 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.723 HG22 HD13 ' B' ' 57' ' ' ILE . 55.6 mt -100.86 105.18 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 42' ' ' ASP . 13.4 ptp180 -139.31 156.35 47.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 112.26 -170.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.86 121.18 40.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.228 -0.897 . . . . 0.0 108.918 168.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -108.03 173.26 6.4 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.735 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.562 -170.047 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 121.992 0.901 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.56 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -175.72 170.63 43.64 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.593 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.8 tt -145.76 141.02 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 117.273 0.537 . . . . 0.0 111.258 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.494 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 6.1 m -90.18 135.36 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.94 153.53 35.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.152 0.501 . . . . 0.0 111.048 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -85.05 162.89 19.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.036 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -57.15 -42.95 81.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.198 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -59.74 -47.38 85.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.094 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HB3' HD13 ' B' ' 18' ' ' LEU . 38.6 mt-10 -64.63 -43.98 91.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.807 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.573 ' HD2' HD21 ' B' ' 75' ' ' LEU . 7.0 t80 -57.76 -51.39 69.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.65 -176.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -62.14 -38.2 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.6 m -59.41 -46.65 88.11 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.62 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 23.2 ptt? -67.7 -34.62 77.26 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.396 -177.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 64' ' ' PHE . 90.8 t -57.97 -50.17 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.803 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.43 -40.84 89.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.254 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.72 96.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.481 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -88.1 -10.08 51.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.121 0.486 . . . . 0.0 110.892 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 77.9 tttt -66.27 -33.44 75.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 171.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.97 -43.52 2.6 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.874 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 34.4 m-80 -99.95 154.48 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -177.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.471 HD23 HG21 ' B' ' 68' ' ' VAL . 39.2 tp 73.99 -39.62 0.43 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.188 0.595 . . . . 0.0 111.559 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.49 0.662 . . . . 0.0 109.26 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -105.89 119.22 38.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.143 0.497 . . . . 0.0 110.002 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -100.27 127.16 46.61 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.5 mt -81.5 103.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -75.92 -66.6 0.77 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.558 -174.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.49 ' HB3' HH11 ' B' ' 31' ' ' ARG . 37.2 tt0 -151.56 131.82 13.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.964 -173.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -81.03 116.01 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.523 HD12 HG22 ' B' ' 29' ' ' ILE . 41.1 mt -70.45 -54.86 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.347 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -165.44 153.63 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.654 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.444 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 21.7 m -98.8 136.43 38.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.819 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 63' ' ' GLU . 87.7 mt -92.31 -69.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.736 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -170.56 -177.37 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 12.6 pt-20 -114.75 136.12 53.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.562 0.696 . . . . 0.0 110.202 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 8.9 t30 -94.97 141.94 28.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.658 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 59.28 -91.27 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.141 0 O-C-N 124.283 0.99 . . . . 0.0 109.704 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -158.76 110.06 2.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 173.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.62 -20.14 46.54 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.508 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.438 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 50.1 m95 -76.56 81.23 3.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 117.814 0.807 . . . . 0.0 109.63 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 18.1 m -85.07 137.47 33.03 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.224 0.535 . . . . 0.0 110.761 -169.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HE2' ' O ' ' A' ' 58' ' ' THR . 2.8 ttmp? -115.19 121.65 43.62 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.47 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 0.1 OUTLIER -144.7 171.58 14.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.595 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.523 HG22 HD12 ' B' ' 15' ' ' LEU . 37.7 mt -119.35 117.21 53.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.19 159.37 33.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.225 0.535 . . . . 0.0 110.707 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.49 HH11 ' HB3' ' B' ' 13' ' ' GLU . 13.4 ttm105 -93.2 119.21 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.09 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -110.97 135.2 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.912 0.386 . . . . 0.0 110.716 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -103.67 106.6 17.16 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -88.58 119.62 29.21 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.306 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 72.26 -62.1 0.47 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.135 0.897 . . . . 0.0 112.61 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.45 -147.61 8.55 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.854 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.713 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -79.92 -37.18 1.09 Allowed Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 10.0 Cg_endo -51.14 104.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.501 2.134 . . . . 0.0 112.822 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.417 ' CB ' ' HD3' ' B' ' 31' ' ' ARG . . . -88.84 142.45 27.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.668 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -119.72 176.97 5.13 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.532 ' O ' ' HB2' ' B' ' 59' ' ' LEU . 29.8 m-85 -122.29 113.8 19.92 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -122.44 134.51 54.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.236 0.541 . . . . 0.0 111.06 -171.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 29' ' ' ILE . 56.0 mt -91.19 114.43 28.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.366 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -123.5 148.9 45.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.374 0.607 . . . . 0.0 112.005 -173.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.97 127.07 51.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.048 172.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -108.25 124.62 50.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.042 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.112 179.373 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 121.141 0.496 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.32 -140.47 7.13 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.723 HD13 HG22 ' A' ' 43' ' ' ILE . 15.6 tt -141.82 135.6 29.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -89.75 139.27 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.26 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' B' ' 41' ' ' PHE . 90.4 mt -135.51 131.81 36.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.127 0.489 . . . . 0.0 110.795 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.0 p -91.63 179.43 5.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.118 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.18 -52.88 62.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.629 -173.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.09 -44.72 91.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.286 -176.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.32 -44.45 96.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.251 0.548 . . . . 0.0 110.44 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.475 ' O ' HG23 ' B' ' 68' ' ' VAL . 9.3 t80 -69.56 -45.45 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.873 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -43.06 86.77 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 177.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.1 m -58.03 -40.38 80.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.438 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.47 ' HB3' ' O ' ' B' ' 64' ' ' PHE . 13.7 tmm? -57.77 -41.41 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.625 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 64' ' ' PHE . 90.6 t -60.47 -63.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.249 -175.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.45 -36.02 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.557 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -63.52 -48.06 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.488 ' HB3' HG22 ' A' ' 68' ' ' VAL . 12.8 m-85 -76.0 -30.61 58.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.22 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 76.7 tttt -50.2 -39.67 44.91 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.817 0.698 . . . . 0.0 110.629 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.1 41.98 2.05 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.331 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -141.77 -40.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.573 HD21 ' HD2' ' A' ' 64' ' ' PHE . 5.5 mp -101.25 -172.46 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.597 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' B' ' 75' ' ' LEU . 33.3 tt0 . . . . . 0 N--CA 1.462 0.143 0 O-C-N 124.173 0.921 . . . . 0.0 110.181 -176.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.445 -0.702 0 CA-C-O 121.022 0.439 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.622 ' HA ' ' O ' ' A' ' 33' ' ' SER . 48.5 p90 -147.41 131.06 16.87 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -153.81 144.36 22.42 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.68 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.562 HG12 HG22 ' A' ' 32' ' ' VAL . 62.7 mt -75.92 105.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.115 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.56 -50.5 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.994 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -133.2 146.9 51.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.54 113.69 26.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 29' ' ' ILE . 95.2 mt -68.56 -70.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.549 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.89 137.76 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 176.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.553 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 11.4 m -73.43 137.42 44.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.637 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 79.7 mt -93.67 -80.26 0.39 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.776 0.322 . . . . 0.0 110.569 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' B' ' 63' ' ' GLU . 59.1 m -162.45 156.72 21.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.756 -175.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 0.7 OUTLIER -101.24 145.12 29.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.296 0.569 . . . . 0.0 110.764 176.35 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.89 145.13 42.52 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.25 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HB3' ' HD1' ' A' ' 25' ' ' TRP . 24.2 tt0 62.97 17.84 10.4 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.011 0.434 . . . . 0.0 111.38 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt 57.17 90.39 0.04 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.4 -46.94 1.04 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.148 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.5 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 83.7 m95 -77.11 91.63 3.71 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 15.7 m -86.18 137.8 32.37 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.013 0.435 . . . . 0.0 110.544 -173.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HG3' HD11 ' B' ' 57' ' ' ILE . 14.9 ttmm -104.61 116.72 32.55 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.553 ' HG3' ' HA ' ' A' ' 17' ' ' THR . 36.1 tt0 -137.7 152.23 49.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.964 -177.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 15' ' ' LEU . 53.1 mt -109.82 113.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.174 0.512 . . . . 0.0 109.946 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -121.12 176.44 5.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.308 -176.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -120.79 124.71 45.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.245 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.562 HG22 HG12 ' A' ' 11' ' ' ILE . 46.0 t -115.25 131.11 68.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.622 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 27.2 t -83.71 133.07 34.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -122.53 97.62 5.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.735 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 51.47 85.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.742 0.651 . . . . 0.0 112.484 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.6 -107.73 0.64 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.836 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.983 ' H ' ' HD2' ' A' ' 38' ' ' PRO . . . -148.61 -42.48 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.983 ' HD2' ' H ' ' A' ' 37' ' ' ALA . 9.3 Cg_endo -52.63 105.71 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.721 2.28 . . . . 0.0 112.693 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.28 98.59 11.04 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.736 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -74.74 163.22 27.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -87.08 132.96 33.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.812 -173.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' OD2' ' HD2' ' A' ' 44' ' ' ARG . 15.1 t70 -130.89 109.93 10.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.272 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.515 HG23 HG12 ' A' ' 29' ' ' ILE . 53.0 mt -91.0 105.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' HD2' ' OD2' ' A' ' 42' ' ' ASP . 17.4 ttt85 -127.03 156.35 41.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.345 0.593 . . . . 0.0 112.385 -163.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.83 137.38 42.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.654 171.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.5 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 29.9 m95 -107.85 136.38 47.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.141 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.358 -179.026 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 167.77 157.53 11.03 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.707 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.56 HD13 HG22 ' B' ' 43' ' ' ILE . 16.7 tt -154.54 131.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.938 0.399 . . . . 0.0 110.443 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 p -88.0 134.67 33.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.479 HD12 ' HD1' ' A' ' 64' ' ' PHE . 79.1 mt -118.8 137.3 53.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.151 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.521 ' HB2' ' HG3' ' A' ' 63' ' ' GLU . 6.3 m -73.91 161.55 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -53.74 -49.12 68.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.404 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.81 -46.64 87.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.521 ' HG3' ' HB2' ' A' ' 60' ' ' SER . 32.2 mt-10 -64.46 -42.77 95.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.725 -176.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.599 ' O ' ' HG3' ' A' ' 67' ' ' MET . 43.2 t80 -63.76 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.138 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -44.22 90.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.652 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 85.6 m -53.91 -43.96 70.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.032 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -73.6 -29.71 62.55 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.259 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.694 HG21 HD23 ' B' ' 75' ' ' LEU . 35.3 t -63.61 -46.12 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.724 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -74.56 -32.83 62.54 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.259 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.27 77.94 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.497 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' HB3' HG13 ' B' ' 68' ' ' VAL . 26.2 m-85 -75.05 -17.02 60.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.898 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 79.0 tttt -65.15 -33.33 75.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.529 0.68 . . . . 0.0 109.286 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.47 -27.49 43.14 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.7 -176.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -128.37 171.48 11.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.753 0.777 . . . . 0.0 111.887 -173.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HG21 ' B' ' 68' ' ' VAL . 25.6 tp 72.36 -8.83 1.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.742 0.817 . . . . 0.0 112.069 176.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.59 0.709 . . . . 0.0 111.076 -178.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -124.61 120.42 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.137 0.494 . . . . 0.0 110.13 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.97 114.43 26.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.001 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.424 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -74.19 104.03 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -89.03 -65.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.362 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' B' ' 31' ' ' ARG . 38.5 tt0 -128.52 147.34 50.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.118 -170.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -105.13 113.1 26.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.54 HD12 HG22 ' B' ' 29' ' ' ILE . 97.2 mt -70.35 -57.97 4.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.5 138.56 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.547 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.938 HG23 ' HG2' ' B' ' 28' ' ' GLU . 91.6 m -86.15 114.44 23.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.497 HD21 ' HB3' ' A' ' 67' ' ' MET . 94.5 mt -67.34 -71.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -179.27 161.01 1.06 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.86 -174.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -103.17 140.11 37.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.234 0.54 . . . . 0.0 110.168 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -92.57 144.43 25.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.85 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 58.19 -92.29 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 O-C-N 124.168 0.917 . . . . 0.0 109.593 -172.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -172.09 84.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -34.91 1.8 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.972 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -72.62 83.21 1.14 Allowed 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.524 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.3 m -86.12 137.26 32.8 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.136 -171.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' B' ' 44' ' ' ARG . 7.3 ttpm? -128.29 117.28 21.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.104 -171.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.938 ' HG2' HG23 ' B' ' 17' ' ' THR . 24.6 mt-10 -134.35 163.81 28.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.67 -172.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.54 HG22 HD12 ' B' ' 15' ' ' LEU . 51.4 mt -117.74 116.02 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -123.34 -176.16 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.544 . . . . 0.0 111.23 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 33.9 mtm180 -126.82 101.93 6.81 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.192 168.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' B' ' 11' ' ' ILE . 76.3 t -106.97 135.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.05 0.452 . . . . 0.0 111.132 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -90.54 136.24 33.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.285 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.61 121.6 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.829 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 63.33 -82.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.894 0.746 . . . . 0.0 111.292 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.04 10.85 1.38 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.2 154.64 51.97 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.37 158.08 32.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.583 2.188 . . . . 0.0 112.31 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' B' ' 31' ' ' ARG . . . -61.42 118.98 7.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.058 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 69.8 mmtt -101.55 161.57 13.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.383 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.443 ' HD1' HD11 ' B' ' 15' ' ' LEU . 8.6 m-85 -85.07 114.79 22.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 -173.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -116.51 141.19 48.5 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.189 0.519 . . . . 0.0 111.067 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.56 HG22 HD13 ' A' ' 57' ' ' ILE . 55.7 mt -104.83 104.6 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 45.0 ttt180 -114.81 128.76 56.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.64 -168.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.28 108.58 14.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 31.5 p-90 -108.39 133.87 51.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.214 0.53 . . . . 0.0 111.365 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.535 179.613 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.5 mttt . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . 0.552 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 153.56 -162.96 30.57 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -176.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.477 HG22 HG22 ' A' ' 57' ' ' ILE . 12.1 tt -151.55 142.93 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.099 0.449 . . . . 0.0 111.041 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.2 m -106.0 142.21 36.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mp -120.69 148.31 44.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.488 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 33.0 t -96.86 -173.39 2.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.972 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -64.06 -49.59 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -66.34 -57.09 8.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 2.5 pm0 -61.54 -35.45 77.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.744 -176.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.73 -45.84 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.836 0.351 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -32.65 74.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -63.31 -50.29 70.62 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.178 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -67.45 -37.74 83.43 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.821 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.55 HG13 ' HB3' ' A' ' 71' ' ' PHE . 42.1 t -60.77 -55.6 23.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.181 -176.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -52.76 -46.79 67.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 123.319 0.387 . . . . 0.0 110.715 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.82 -58.93 6.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.4 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.427 ' HB3' HG13 ' A' ' 68' ' ' VAL . 34.4 m-85 -67.38 -30.25 69.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.169 -177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.898 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 44.5 tttm -59.54 -28.06 66.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.244 0.545 . . . . 0.0 110.175 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.07 81.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.73 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -158.37 -178.08 7.02 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.915 1.357 . . . . 0.0 112.814 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 68' ' ' VAL . 50.4 tp 71.42 -57.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.568 1.147 . . . . 0.0 113.245 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.802 0.334 . . . . 0.0 110.209 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 45.4 p90 -120.44 138.78 53.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.181 0.515 . . . . 0.0 111.215 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.4 145.95 41.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.954 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.74 122.43 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.189 0.518 . . . . 0.0 110.958 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.506 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 14.2 mm-40 -88.59 -50.51 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.863 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.518 ' OE1' ' HD3' ' A' ' 31' ' ' ARG . 51.4 tt0 -146.35 144.73 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.787 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -96.91 116.34 29.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.569 HD12 HG22 ' A' ' 29' ' ' ILE . 92.8 mt -71.54 -55.54 7.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.075 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.0 OUTLIER -169.05 144.45 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.203 175.018 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -84.52 110.09 18.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.471 HD12 ' HG2' ' A' ' 27' ' ' LYS . 88.8 mt -62.13 -75.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.453 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 66.6 m -165.83 155.63 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 35.1 tt0 -100.2 132.05 45.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.624 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.73 123.21 44.61 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.502 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 41.67 42.58 2.12 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.687 1.242 . . . . 0.0 113.547 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 63.05 106.04 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.841 0.713 . . . . 0.0 111.731 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.89 -48.54 0.93 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.951 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -78.65 79.97 5.04 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.134 0.467 . . . . 0.0 110.241 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.501 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 5.9 m -91.89 137.73 32.13 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.736 -173.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.71 ' HE2' ' HB3' ' B' ' 59' ' ' LEU . 4.2 ttmp? -116.95 125.57 51.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.706 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.7 tt0 -147.98 152.59 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.215 -175.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.569 HG22 HD12 ' A' ' 15' ' ' LEU . 50.4 mt -109.47 123.33 65.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -124.14 161.59 25.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 0.0 111.768 -170.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.642 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 42.5 mtp-105 -99.93 108.62 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 168.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 53.0 t -114.12 132.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -173.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 p -89.22 132.39 34.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -113.71 101.09 8.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -173.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 t30 57.59 30.31 18.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.165 169.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.76 -16.54 23.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.305 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.42 149.48 75.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 157.93 14.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.955 2.437 . . . . 0.0 112.802 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.506 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -66.93 106.56 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.071 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 8.8 mtpm? -84.37 162.82 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.738 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' HD1' HD11 ' A' ' 15' ' ' LEU . 44.6 m-85 -91.08 112.91 25.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -137.4 140.22 41.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.968 0.413 . . . . 0.0 110.764 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.516 HG23 HG12 ' A' ' 29' ' ' ILE . 59.6 mt -98.74 130.18 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.113 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -147.07 172.25 14.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.363 0.602 . . . . 0.0 111.497 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.66 135.71 46.01 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.501 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 38.5 p-90 -111.17 131.42 55.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.532 0.682 . . . . 0.0 110.704 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.014 -175.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt . . . . . 0 C--O 1.237 0.407 0 CA-C-O 121.26 0.553 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.78 -159.39 31.34 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.481 HD13 HG22 ' B' ' 43' ' ' ILE . 19.2 tt -133.16 134.13 57.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.071 0.462 . . . . 0.0 110.457 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 p -94.45 138.88 31.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.335 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -128.02 147.73 50.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.297 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.63 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 40.1 t -77.99 153.27 32.57 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 170.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.18 -32.64 66.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.26 0.553 . . . . 0.0 110.665 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.04 -44.71 60.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.63 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 46.4 mt-10 -63.07 -40.17 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.25 0.548 . . . . 0.0 109.866 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.538 ' O ' ' HG3' ' A' ' 67' ' ' MET . 32.3 t80 -59.71 -52.82 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.297 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -58.35 -37.11 74.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.691 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.3 m -57.26 -50.74 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.404 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.538 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -71.35 -33.13 69.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.734 -178.727 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.538 HG21 HD22 ' B' ' 75' ' ' LEU . 78.0 t -60.43 -51.59 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.98 0.419 . . . . 0.0 110.451 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.96 -43.88 91.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.657 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -68.15 -45.32 73.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.97 -178.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.467 ' CE1' HD23 ' B' ' 16' ' ' LEU . 17.2 m-85 -74.32 -24.55 59.23 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.709 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 48.1 tttm -75.13 -25.94 58.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.46 . . . . 0.0 109.906 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.25 -49.9 4.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.137 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' HD22 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -90.17 -167.37 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.875 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 16.8 tp 51.36 -151.87 0.23 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.351 0.407 . . . . 0.0 110.011 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.875 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 18.1 tp10 . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 121.961 0.886 . . . . 0.0 109.425 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' B' ' 33' ' ' SER . 39.1 p90 -153.42 142.44 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -143.94 151.25 39.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.415 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -75.54 109.68 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 0.8 OUTLIER -80.97 -45.23 16.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.079 -176.365 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.432 ' HB3' ' HD3' ' B' ' 31' ' ' ARG . 39.7 tt0 -161.94 117.9 2.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -89.25 121.8 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 0.0 109.676 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.65 -52.9 4.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.761 -172.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.509 HD12 HD23 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -132.38 102.92 5.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -174.121 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -84.84 94.63 8.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 172.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.509 HD23 HD12 ' B' ' 16' ' ' LEU . 90.7 mt -68.51 -75.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.424 -171.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -171.1 171.65 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.807 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -110.92 139.58 46.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.654 0.74 . . . . 0.0 110.26 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.429 HD21 ' HB2' ' B' ' 27' ' ' LYS . 30.6 m-80 -81.79 164.54 21.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.078 -176.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -45.35 -38.09 5.5 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -81.62 12.2 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.313 . . . . 0.0 111.535 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.72 22.77 65.91 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -93.87 127.84 39.83 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 -174.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.23 137.27 32.75 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -173.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HB2' HD21 ' B' ' 21' ' ' ASN . 36.1 ttpt -127.83 117.72 22.36 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -146.97 171.99 14.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.754 0.788 . . . . 0.0 112.099 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.518 HG12 HG23 ' B' ' 43' ' ' ILE . 69.2 mt -124.8 126.02 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.493 -1.231 . . . . 0.0 109.653 178.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.401 ' N ' HD22 ' B' ' 30' ' ' ASN . 0.1 OUTLIER -154.1 172.96 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.313 0.578 . . . . 0.0 112.52 -173.122 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 16.4 mtp180 -100.54 128.76 46.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.87 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 37.0 t -121.03 135.61 60.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 11.1 p -88.8 121.98 31.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -109.71 114.34 27.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 p30 44.8 33.67 1.03 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.513 1.125 . . . . 0.0 113.764 173.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.26 -138.28 6.36 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.313 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.651 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -70.48 -46.99 19.05 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.9 Cg_endo -52.35 107.17 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.027 2.485 . . . . 0.0 113.795 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -115.15 105.76 13.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 171.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 11.4 ptmm? -119.77 -179.5 3.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.184 0.516 . . . . 0.0 112.035 -170.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.534 ' HE2' HD21 ' B' ' 59' ' ' LEU . 23.0 t80 -83.61 128.29 34.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.57 -178.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.436 ' OD2' HG22 ' B' ' 58' ' ' THR . 4.6 m-20 -142.92 137.26 29.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.395 . . . . 0.0 110.928 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.518 HG23 HG12 ' B' ' 29' ' ' ILE . 15.7 mt -103.31 128.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -141.36 150.46 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.45 -171.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.89 109.46 12.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.863 167.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 7.5 p-90 -116.79 160.85 20.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.087 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.174 -176.38 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.5 -166.81 35.5 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.9 tt -155.24 138.02 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 117.063 0.432 . . . . 0.0 110.507 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.436 HG22 ' OD2' ' B' ' 42' ' ' ASP . 68.9 p -102.78 126.32 49.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.017 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.71 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.6 pt? -146.03 168.75 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.54 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 p -88.96 166.19 14.08 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.2 -24.07 62.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 110.625 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -60.11 -51.46 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.93 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 37.1 mt-10 -64.06 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.461 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' B' ' 67' ' ' MET . 7.1 t80 -59.63 -59.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.881 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -30.86 64.61 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.648 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -60.7 -50.48 73.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.347 177.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.573 ' HA ' HD11 ' A' ' 16' ' ' LEU . 15.3 ptt? -67.8 -37.96 82.68 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.922 0.391 . . . . 0.0 110.198 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.644 HG21 HD23 ' A' ' 75' ' ' LEU . 75.3 t -62.01 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.882 -177.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.821 ' HA ' ' HE2' ' B' ' 72' ' ' LYS . 23.9 t70 -57.33 -49.68 75.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.202 176.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.422 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -62.58 -44.93 95.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.424 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.8 m-85 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 -178.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.821 ' HE2' ' HA ' ' B' ' 69' ' ' ASP . 27.9 ttpt -61.95 -31.24 71.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.211 0.529 . . . . 0.0 110.075 173.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.5 -1.16 81.29 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.884 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.544 ' HB3' HD12 ' B' ' 75' ' ' LEU . 5.1 m-20 -127.12 -178.37 4.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.809 0.305 . . . . 0.0 110.946 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' B' ' 74' ' ' ASN . 6.7 mp 47.03 -145.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.656 0.598 . . . . 0.0 111.788 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.699 ' HG3' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.199 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.16 173.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.016 0.436 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -108.11 126.22 52.51 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.75 139.58 52.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.048 0.451 . . . . 0.0 111.307 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 11' ' ' ILE . 3.6 mp -87.99 97.2 6.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -87.43 -29.87 21.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.224 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 9.2 tp10 -125.29 141.01 52.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -175.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -118.42 121.57 40.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.403 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD12 HG22 ' A' ' 29' ' ' ILE . 44.7 mt -81.28 -56.11 4.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' B' ' 70' ' ' ALA . 1.1 pt? -173.34 154.21 2.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.366 172.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.57 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 32.1 m -99.06 112.56 24.66 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 170.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' B' ' 63' ' ' GLU . 37.9 mt -62.0 -70.08 0.21 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.471 -174.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.422 ' OG ' ' HG3' ' B' ' 63' ' ' GLU . 53.1 p -171.94 176.85 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -94.9 131.72 40.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.46 153.99 32.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.87 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 63.06 11.53 5.26 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.199 174.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mttp 58.83 78.75 0.24 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.384 0.611 . . . . 0.0 110.554 -178.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.5 -46.55 0.92 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.227 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -85.59 121.46 28.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.577 0.227 . . . . 0.0 110.535 -175.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -87.16 136.98 32.72 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.949 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.799 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 39.8 ttmt -106.07 118.08 35.7 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.57 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 10.8 pt-20 -156.69 170.56 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.089 0.471 . . . . 0.0 111.552 -173.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.619 HG22 HD12 ' A' ' 15' ' ' LEU . 17.9 mt -128.11 132.23 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.875 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 9.3 p30 -144.37 -178.38 5.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.301 -176.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 35.0 mtm180 -117.34 123.28 46.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 175.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 11' ' ' ILE . 38.8 t -103.11 132.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -177.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.6 t -100.44 127.05 46.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.538 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.86 104.07 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.146 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.22 23.27 12.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.143 175.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.97 75.42 1.28 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.067 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -156.93 166.42 16.68 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 88.6 Cg_exo -47.8 123.29 8.21 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.53 2.153 . . . . 0.0 111.772 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.82 125.37 29.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.404 -173.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -99.16 150.11 22.39 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 1.7 p90 -83.33 144.47 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.157 0.503 . . . . 0.0 111.081 -173.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.571 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 7.5 t70 -138.74 135.25 34.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.361 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.556 HG23 HG12 ' A' ' 29' ' ' ILE . 43.6 mt -112.99 111.39 35.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.219 -177.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.873 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 63.9 mtt180 -146.34 175.46 10.52 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.715 0.769 . . . . 0.0 112.026 -178.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.36 127.05 53.22 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.684 165.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.73 144.31 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.442 0.639 . . . . 0.0 111.149 -170.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.249 -174.349 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 pttm . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.141 0.496 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.873 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . 175.12 -147.14 8.77 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.394 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.639 ' HB ' ' CA ' ' B' ' 56' ' ' GLY . 19.1 tt -146.96 134.07 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.022 0.439 . . . . 0.0 111.521 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.0 m -97.22 129.97 44.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -127.59 168.93 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 0.0 111.212 -170.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.83 146.0 31.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.019 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' O ' ' HB3' ' A' ' 64' ' ' PHE . 24.2 p-10 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.468 -172.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.83 -51.21 43.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.762 ' HB3' ' HB3' ' B' ' 18' ' ' LEU . 2.9 mp0 -63.54 -25.37 68.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.161 0.505 . . . . 0.0 110.446 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.535 ' CE2' HD22 ' B' ' 75' ' ' LEU . 2.5 t80 -59.25 -52.09 67.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.938 173.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.417 ' HA ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -61.62 -33.42 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.496 177.636 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.0 m -58.98 -53.57 56.92 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.481 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -72.12 -35.81 69.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.05 -175.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.662 HG21 HD23 ' B' ' 75' ' ' LEU . 48.7 t -58.66 -41.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.036 0.446 . . . . 0.0 110.781 177.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.29 -42.24 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.055 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.61 -49.35 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.584 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.605 ' HB3' HG22 ' B' ' 68' ' ' VAL . 35.8 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.379 -177.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.677 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . 6.1 ttpm? -60.92 -34.38 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.072 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.67 -48.72 79.62 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.967 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -174.22 123.64 0.31 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.016 0.436 . . . . 0.0 111.716 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD22 HG21 ' B' ' 68' ' ' VAL . 27.3 tp -133.65 -62.11 0.79 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.353 179.285 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.235 0.54 . . . . 0.0 110.431 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.29 125.02 50.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -81.67 97.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.502 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 12.5 mm-40 -64.77 -57.17 9.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.929 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -166.52 152.66 8.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.657 -175.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -99.96 127.31 46.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.478 HD12 HG22 ' B' ' 29' ' ' ILE . 89.7 mt -71.82 -55.24 7.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -161.42 144.12 12.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.453 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -86.0 119.25 26.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.517 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.762 ' HB3' ' HB3' ' A' ' 63' ' ' GLU . 79.2 mt -74.4 -57.13 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.919 0.39 . . . . 0.0 110.354 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -161.46 169.4 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.615 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 31.6 tt0 -144.38 104.27 4.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.034 0.445 . . . . 0.0 110.32 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -77.81 123.7 27.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.227 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 61.12 12.12 3.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.181 175.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.59 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . 50.5 tttm 64.0 19.14 11.62 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.78 0.8 . . . . 0.0 110.254 -177.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.69 -42.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.006 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.474 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 46.8 m95 -102.4 91.28 4.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 0.0 110.49 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 3.3 m -86.19 157.07 20.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -129.94 117.56 20.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.88 156.31 42.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -169.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.523 HG12 HG23 ' B' ' 43' ' ' ILE . 56.0 mt -111.61 122.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.282 175.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.577 HD22 ' H ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -137.15 167.32 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.743 0.306 . . . . 0.0 111.135 -172.675 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -108.76 124.5 50.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -121.67 129.58 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -96.11 123.8 39.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -105.8 117.39 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.944 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 72.81 -28.29 0.19 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.17 -6.57 1.54 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.611 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.66 147.5 86.9 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.7 131.8 24.87 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 0.0 112.123 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.502 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -57.01 123.42 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.534 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.563 ' HG3' ' HA ' ' B' ' 60' ' ' SER . 13.7 mptt -89.33 176.2 7.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.727 175.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -103.9 114.0 27.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' B' ' 58' ' ' THR . 28.4 t70 -110.81 129.66 55.79 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.947 0.403 . . . . 0.0 111.085 -174.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.523 HG23 HG12 ' B' ' 29' ' ' ILE . 22.8 mt -110.85 108.7 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.537 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.754 ' HB2' ' HA ' ' B' ' 55' ' ' LYS . 30.4 ptt-85 -154.0 -171.65 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.212 -177.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.98 161.91 15.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.705 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . 0.615 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 98.5 m95 -107.99 147.55 30.93 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 172.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.315 -0.916 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -176.882 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.754 ' HA ' ' HB2' ' B' ' 44' ' ' ARG . 48.3 pttt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.323 0.582 . . . . 0.0 111.901 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . 0.639 ' CA ' ' HB ' ' A' ' 57' ' ' ILE . . . -145.99 -102.31 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.077 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.494 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 20.9 tt -152.65 144.39 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.194 0.521 . . . . 0.0 111.295 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' B' ' 42' ' ' ASP . 5.3 m -95.65 133.89 39.18 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.554 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.561 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 34.8 mt -110.61 142.07 42.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.563 ' HA ' ' HG3' ' B' ' 40' ' ' LYS . 3.6 m -84.31 175.5 9.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -55.61 -39.22 70.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.848 0.356 . . . . 0.0 111.081 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.14 -59.35 4.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.197 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.799 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 2.0 mp0 -56.06 -42.85 77.29 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 111.098 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.558 ' O ' ' HG3' ' B' ' 67' ' ' MET . 8.9 t80 -64.78 -52.16 58.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.261 -173.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.454 ' OE1' HD23 ' A' ' 75' ' ' LEU . 44.2 tp60 -64.17 -33.49 75.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.061 0.458 . . . . 0.0 110.594 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.9 m -61.17 -46.01 92.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -71.34 -29.08 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -177.573 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 75' ' ' LEU . 46.4 t -59.71 -58.99 4.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.935 0.398 . . . . 0.0 111.218 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.494 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 34.6 t70 -59.47 -43.53 93.21 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.151 0.501 . . . . 0.0 110.973 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.555 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -63.46 -50.0 71.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.937 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.511 ' HB3' HG13 ' A' ' 68' ' ' VAL . 11.0 m-85 -67.27 -26.23 66.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.535 0.207 . . . . 0.0 111.516 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 22.2 ttpp -59.14 -39.51 82.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.162 171.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.82 -35.15 7.35 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.389 -0.91 . . . . 0.0 113.267 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.71 -70.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.662 HD23 HG21 ' A' ' 68' ' ' VAL . 53.1 tp -71.67 -62.7 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 33' ' ' SER . 36.6 p90 -154.59 154.84 33.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.152 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -158.39 146.56 18.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.569 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.555 HG12 HG22 ' A' ' 32' ' ' VAL . 59.2 mt -86.37 109.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.776 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.1 pt-20 -81.79 -43.26 18.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 8.5 tp10 -156.92 156.29 32.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.129 0.49 . . . . 0.0 111.562 -174.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -110.45 130.21 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.035 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 29' ' ' ILE . 81.5 mt -72.86 -56.07 5.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.676 0.274 . . . . 0.0 110.545 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' B' ' 67' ' ' MET . 0.9 OUTLIER -158.54 152.21 23.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 177.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 28' ' ' GLU . 19.9 m -89.93 128.21 36.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.55 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -87.23 -54.98 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.802 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -168.14 171.04 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.105 0.478 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -127.32 129.57 47.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.382 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -104.08 125.14 50.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.773 0.32 . . . . 0.0 111.216 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 58.45 29.96 19.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.556 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 7.5 mtpm? 57.25 87.7 0.06 Allowed 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.455 0.472 . . . . 0.0 111.354 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.36 -57.38 0.6 Allowed Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.424 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -73.49 97.66 2.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -96.0 137.73 34.64 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 -173.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 37.9 ttpt -118.06 115.57 25.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.508 ' HG2' HG23 ' A' ' 17' ' ' THR . 39.4 mt-10 -137.47 169.83 17.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -175.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.563 HG22 HD12 ' A' ' 15' ' ' LEU . 57.9 mt -116.59 115.56 49.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -130.16 -178.49 4.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.899 0.381 . . . . 0.0 111.224 -173.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 31' ' ' ARG . 19.5 mtp180 -118.64 124.9 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.749 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.555 HG22 HG12 ' A' ' 11' ' ' ILE . 48.2 t -116.77 131.0 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.504 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.539 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 28.4 m -93.79 112.88 24.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.829 0.347 . . . . 0.0 110.44 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -100.51 132.1 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 72.97 -40.62 0.48 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.544 0.738 . . . . 0.0 112.181 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.14 0.03 0.66 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.985 -174.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 159.57 72.35 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -71.61 54.52 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.166 2.577 . . . . 0.0 112.847 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . 67.74 158.14 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.892 0.853 . . . . 0.0 112.972 176.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 11.8 tppt? -127.53 170.14 12.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -99.07 119.88 38.54 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.088 0.471 . . . . 0.0 110.806 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.9 122.03 41.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.499 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.55 HG22 HD13 ' B' ' 57' ' ' ILE . 56.6 mt -100.68 107.94 22.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm105 -136.42 139.75 42.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.259 0.552 . . . . 0.0 112.444 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -112.23 109.2 18.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.938 172.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -108.59 146.28 33.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.364 0.602 . . . . 0.0 111.67 -172.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.617 -178.745 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 pttm . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.893 0.377 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -176.95 -175.34 44.17 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.833 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.7 tt -143.45 142.95 24.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -98.67 143.24 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.914 0.388 . . . . 0.0 111.362 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.505 HD23 ' HE3' ' B' ' 27' ' ' LYS . 57.6 mt -122.11 134.28 54.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.575 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 22.6 t -71.76 157.81 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.93 -49.02 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.585 0.231 . . . . 0.0 111.394 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.89 -41.55 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.909 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.575 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 41.8 mt-10 -62.58 -44.42 96.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.118 0.485 . . . . 0.0 110.069 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.51 ' O ' ' HG2' ' A' ' 67' ' ' MET . 25.4 t80 -58.81 -50.09 75.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.918 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.435 HE22 ' HG2' ' B' ' 76' ' ' GLU . 54.2 tp60 -59.28 -40.93 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 178.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -54.18 -51.1 65.42 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.679 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 21.9 ptt? -67.96 -37.33 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.333 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.559 HG21 HD23 ' B' ' 75' ' ' LEU . 40.3 t -59.14 -52.16 63.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.51 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -71.1 -34.41 71.09 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.885 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -65.72 -50.86 63.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.974 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.615 ' HB3' HG13 ' B' ' 68' ' ' VAL . 46.2 m-85 -74.9 -17.37 60.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.728 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 66.2 tttm -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.47 -58.2 3.39 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.041 -0.982 . . . . 0.0 112.864 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -92.72 -178.68 4.93 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.694 -0.298 . . . . 0.0 110.723 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.662 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 15.5 tp 60.6 178.59 0.1 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.639 0.776 . . . . 0.0 111.282 177.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.662 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 3.4 tm-20 . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 123.099 0.56 . . . . 0.0 111.216 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.139 0.495 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -136.89 119.8 16.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.857 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.82 141.31 42.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.253 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.459 HG13 HG22 ' B' ' 32' ' ' VAL . 3.4 mp -87.68 115.27 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.1 -23.84 15.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.546 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.02 133.72 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -94.98 142.51 27.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.412 HD11 ' HD2' ' B' ' 41' ' ' PHE . 92.7 mt -112.69 -69.09 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.526 HD21 ' HB1' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -134.62 128.66 33.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.993 -170.024 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -98.32 105.13 17.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.483 HD23 HD12 ' B' ' 16' ' ' LEU . 67.9 mt -72.84 -74.4 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.52 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -163.57 160.18 22.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 110.735 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.6 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 64.6 tt0 -99.2 111.48 23.86 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -80.4 126.07 30.72 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 58.64 -160.23 0.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -105.52 91.46 3.78 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.725 -0.609 . . . . 0.0 110.008 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.17 -38.42 1.47 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.145 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -94.93 87.07 4.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.272 0.536 . . . . 0.0 111.808 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 19.5 m -87.58 138.4 31.51 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.455 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.505 ' HE3' HD23 ' A' ' 59' ' ' LEU . 7.1 ttpm? -118.76 124.52 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.32 171.28 17.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.122 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.534 HG12 HG12 ' B' ' 43' ' ' ILE . 54.5 mt -121.22 133.87 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.174 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.405 HD22 ' C ' ' B' ' 30' ' ' ASN . 0.3 OUTLIER -149.9 164.01 36.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -178.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -91.85 120.68 32.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 0.0 110.667 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.459 HG22 HG13 ' B' ' 11' ' ' ILE . 79.3 t -103.02 121.36 54.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 1.8 m -87.2 113.81 23.26 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.297 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -91.45 154.98 18.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.959 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -34.12 113.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.284 0.99 . . . . 0.0 112.55 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.28 -81.53 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.24 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.603 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -174.0 -51.8 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.4 Cg_endo -52.29 112.17 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.948 2.432 . . . . 0.0 113.335 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -101.71 106.97 18.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.652 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.14 163.9 13.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.571 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 16.5 m-85 -83.19 114.14 21.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.535 ' OD1' ' HG2' ' B' ' 44' ' ' ARG . 15.0 t70 -126.48 142.37 51.56 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.945 0.402 . . . . 0.0 111.236 -171.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.534 HG12 HG12 ' B' ' 29' ' ' ILE . 52.8 mt -112.64 122.17 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.403 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.624 ' HD3' ' HA3' ' B' ' 56' ' ' GLY . 16.6 mmt180 -133.6 162.05 32.98 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.304 0.573 . . . . 0.0 111.357 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.49 137.93 45.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.794 169.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.911 -172.655 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.815 0.341 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . 0.624 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -134.63 169.11 23.29 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 43' ' ' ILE . 20.8 tt -146.51 138.5 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 117.121 0.46 . . . . 0.0 110.88 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.3 m -101.7 135.74 42.73 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.555 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.49 124.9 46.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.722 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -76.13 179.39 5.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.571 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 47.2 t-20 -53.85 -54.3 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 111.129 -174.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' B' ' 62' ' ' GLU . 0.9 OUTLIER -70.42 -36.39 73.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.224 -176.494 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.21 -45.8 83.3 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.247 0.546 . . . . 0.0 110.332 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.45 ' O ' ' HG3' ' B' ' 67' ' ' MET . 54.5 t80 -64.58 -47.1 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -59.16 -36.64 75.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.8 m -58.53 -51.09 71.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.273 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -68.88 -36.05 77.62 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.736 -176.599 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 71' ' ' PHE . 54.3 t -62.15 -41.04 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.243 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.02 -45.13 71.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.868 0.366 . . . . 0.0 110.582 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.23 81.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.374 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.506 ' HB3' HG22 ' A' ' 68' ' ' VAL . 23.0 m-85 -84.74 -23.64 29.19 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.102 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.728 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 25.6 ttmt -62.17 -32.9 73.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.45 45.56 1.29 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.185 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -167.06 149.16 6.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.73 0.265 . . . . 0.0 111.087 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.559 HD23 HG21 ' A' ' 68' ' ' VAL . 40.4 tp 75.5 -40.27 0.41 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.435 ' HG2' HE22 ' A' ' 65' ' ' GLN . 1.1 tm-20 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.281 0.563 . . . . 0.0 111.583 -173.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' HA ' ' A' ' 35' ' ' ASN . 3.2 t . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.045 0.45 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -140.66 130.17 24.03 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.58 148.68 47.65 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.121 0.486 . . . . 0.0 111.149 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.0 mt -93.27 122.96 45.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.78 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -88.38 -42.88 11.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.867 0.365 . . . . 0.0 110.507 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.83 152.73 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.002 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.84 141.12 44.64 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -79.73 -61.96 1.83 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.047 0.451 . . . . 0.0 110.576 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 1.2 pt? -159.58 154.61 24.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.651 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 21.9 m -98.94 138.86 35.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.667 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 77.8 mt -98.09 -69.42 0.76 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -172.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -155.33 175.05 14.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.789 0.328 . . . . 0.0 111.226 -174.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 13.1 pt-20 -134.17 145.94 49.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.68 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.662 ' HB3' ' HB2' ' A' ' 25' ' ' TRP . 67.3 t30 -115.39 143.23 45.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.751 177.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 45.24 26.58 0.27 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.21 1.004 . . . . 0.0 112.765 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 56.94 22.78 7.52 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.826 0.45 . . . . 0.0 111.838 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.63 -32.15 0.26 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.671 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.662 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 11.3 m0 -91.06 97.0 10.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -87.8 136.69 32.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.701 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HD3' HD11 ' B' ' 57' ' ' ILE . 14.9 ttpp -130.92 127.85 39.32 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.101 -0.375 . . . . 0.0 110.582 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.651 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 17.1 pt-20 -160.55 -174.23 4.36 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.27 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.523 HG12 HG23 ' A' ' 43' ' ' ILE . 42.1 mt -123.29 125.97 72.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.269 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -142.14 169.01 18.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.966 0.412 . . . . 0.0 110.942 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.647 ' HD3' ' HB1' ' A' ' 39' ' ' ALA . 67.2 mtt-85 -89.53 131.48 35.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.28 129.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.607 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 66.7 m -109.62 119.01 38.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.86 120.08 39.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.696 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.417 ' HA ' HG23 ' A' ' 8' ' ' THR . 9.8 m120 51.86 31.07 7.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.289 0.566 . . . . 0.0 112.196 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.607 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . 167.49 -159.78 33.2 Favored Glycine 0 CA--C 1.503 -0.716 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 33' ' ' SER . . . -133.98 69.43 74.91 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 117.929 0.865 . . . . 0.0 111.995 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 1.2 Cg_endo -85.18 -22.12 2.82 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.749 2.299 . . . . 0.0 110.589 168.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.647 ' HB1' ' HD3' ' A' ' 31' ' ' ARG . . . 47.84 63.96 1.82 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 114.581 -1.19 . . . . 0.0 112.234 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -82.28 160.26 22.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -89.21 120.16 30.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -114.67 131.46 56.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.923 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.523 HG23 HG12 ' A' ' 29' ' ' ILE . 39.5 mt -115.3 112.94 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' B' ' 57' ' ' ILE . 16.9 ptp180 -155.8 171.61 19.75 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.251 -177.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.64 143.66 33.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.03 174.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -108.48 125.68 52.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.333 -176.316 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.235 0.294 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -178.33 -179.89 48.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.116 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.1 tt -157.03 135.14 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.01 0.433 . . . . 0.0 110.552 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -88.98 132.62 34.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.065 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' B' ' 27' ' ' LYS . 60.0 mt -114.01 146.03 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.8 p -86.93 171.83 10.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -59.17 -40.43 85.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.497 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 1.5 mp0 -58.94 -55.62 32.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.502 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.72 -45.21 90.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.038 -175.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.574 ' O ' ' HG2' ' A' ' 67' ' ' MET . 13.7 t80 -63.43 -47.66 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.819 -175.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -62.19 -39.02 91.32 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.8 m -54.91 -51.08 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.346 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.5 ptt? -64.52 -30.75 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.39 -177.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 64' ' ' PHE . 77.6 t -59.63 -51.73 69.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.614 0.245 . . . . 0.0 111.376 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -41.54 86.55 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.185 0.517 . . . . 0.0 110.92 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.643 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -65.22 -49.24 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.57 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 74' ' ' ASN . 19.4 m-30 -64.45 -25.79 68.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.613 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HD2' ' OE1' ' B' ' 76' ' ' GLU . 85.5 tttt -59.75 -46.57 88.73 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.49 28.14 6.55 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.154 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.481 ' HB2' ' HA ' ' A' ' 71' ' ' PHE . 3.6 m-80 -137.19 -51.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.602 0.239 . . . . 0.0 111.592 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HG ' ' NE2' ' B' ' 65' ' ' GLN . 49.1 tp -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -167.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.196 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.444 -0.732 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.48 ' HB2' HG11 ' B' ' 32' ' ' VAL . 26.2 p90 -108.03 119.37 39.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.758 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.516 ' HB2' ' OG ' ' B' ' 33' ' ' SER . 14.0 mm-40 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -176.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.45 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.6 mp -80.55 108.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.647 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 22.8 mm-40 -85.66 -46.22 10.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.528 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -162.82 152.54 15.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.186 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.456 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 14.3 p80 -107.53 131.65 54.1 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.715 171.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.927 HD23 HG22 ' B' ' 29' ' ' ILE . 2.9 mm? -60.73 -62.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.643 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -172.53 153.59 2.9 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 175.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.84 HG23 ' HG2' ' B' ' 28' ' ' GLU . 35.3 m -83.31 122.14 28.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.479 HD11 HD11 ' B' ' 29' ' ' ILE . 66.5 mt -71.76 -71.46 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.501 0.191 . . . . 0.0 111.008 -176.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -163.06 162.6 25.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.26 123.73 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.236 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -95.2 152.96 17.9 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.1 mp0 -53.08 156.39 2.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.481 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' B' ' 22' ' ' GLU . 68.5 mttm 77.37 6.9 2.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.359 -173.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.64 75.22 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.173 174.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.434 ' CZ2' ' HB3' ' B' ' 47' ' ' SER . 33.3 m95 -80.21 102.96 9.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.283 0.563 . . . . 0.0 110.223 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -88.91 137.7 32.08 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.292 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 59' ' ' LEU . 39.2 ttmt -113.36 116.03 29.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.84 ' HG2' HG23 ' B' ' 17' ' ' THR . 46.4 mt-10 -131.63 170.13 15.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.877 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.927 HG22 HD23 ' B' ' 15' ' ' LEU . 41.4 mt -131.02 129.3 63.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.242 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.456 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.3 OUTLIER -149.08 169.28 21.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.448 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 82.4 mtp180 -108.28 121.56 45.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.967 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' B' ' 9' ' ' PHE . 39.5 t -121.99 135.02 63.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 -177.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.516 ' OG ' ' HB2' ' B' ' 10' ' ' GLU . 7.0 p -93.85 135.09 35.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -111.04 101.98 10.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.965 -176.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 p30 41.75 52.11 4.05 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.301 1.001 . . . . 0.0 111.189 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.99 -164.96 13.17 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.386 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.517 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.81 165.0 0.12 Allowed Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 122.805 0.442 . . . . 0.0 111.59 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 29.6 Cg_endo -64.31 158.29 49.63 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.109 1.872 . . . . 0.0 111.748 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -69.19 110.62 4.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.041 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.7 mttt -81.1 152.54 27.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.469 ' HZ ' HD11 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -95.73 128.91 43.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.137 -175.639 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -133.57 149.0 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.202 0.525 . . . . 0.0 111.086 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.687 HG23 HG12 ' B' ' 29' ' ' ILE . 19.9 mt -110.9 109.83 29.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 ptm85 -123.88 161.83 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -166.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' B' ' 55' ' ' LYS . . . -136.76 106.77 6.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.394 175.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . 0.435 ' HE3' ' O ' ' B' ' 47' ' ' SER . 56.6 p-90 -108.24 144.09 36.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.386 0.613 . . . . 0.0 111.949 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.435 ' O ' ' HE3' ' B' ' 46' ' ' TRP . 7.3 p . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.211 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' B' ' 45' ' ' ALA . 34.4 mmtp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.12 163.78 12.41 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.973 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 44' ' ' ARG . 10.9 tt -133.38 134.15 57.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -100.68 132.04 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.846 0.355 . . . . 0.0 110.65 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.452 ' HB2' ' CD2' ' B' ' 41' ' ' PHE . 4.7 mp -126.5 168.11 14.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.907 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -94.76 172.57 8.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.985 0.421 . . . . 0.0 110.575 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -73.46 -33.9 65.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.876 -173.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.48 -58.7 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.467 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 12.5 pt-20 -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.421 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.614 ' O ' HG23 ' B' ' 68' ' ' VAL . 2.1 t80 -56.36 -52.01 66.17 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.635 HE21 ' HA ' ' B' ' 65' ' ' GLN . 0.0 OUTLIER -65.69 -37.21 85.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 178.064 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.433 ' HB ' ' HA ' ' B' ' 63' ' ' GLU . 79.4 m -52.97 -50.03 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.266 176.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.442 ' HA ' HD11 ' A' ' 16' ' ' LEU . 13.6 ptt? -74.47 -38.44 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.174 -176.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 64' ' ' PHE . 84.3 t -53.68 -48.5 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.558 0.218 . . . . 0.0 110.418 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.95 -43.95 91.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.153 0.502 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.35 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -89.8 -0.84 57.8 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.968 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 1.3 mmpm? -75.29 -30.09 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 165.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.57 -51.36 3.69 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.38 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' B' ' 75' ' ' LEU . 64.3 t30 -97.88 144.41 27.48 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.466 ' HB3' ' H ' ' B' ' 76' ' ' GLU . 5.1 mp 67.56 -161.46 0.22 Allowed 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.017 0.527 . . . . 0.0 110.128 -172.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.553 ' OE1' ' HD2' ' A' ' 72' ' ' LYS . 31.4 tt0 . . . . . 0 N--CA 1.469 0.499 0 O-C-N 123.897 0.748 . . . . 0.0 110.286 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.446 -0.632 0 CA-C-O 120.82 0.343 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -105.05 119.93 40.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 33' ' ' SER . 8.6 pt-20 -108.0 119.99 41.04 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.295 0.569 . . . . 0.0 111.443 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.549 ' HA ' HG22 ' A' ' 32' ' ' VAL . 4.2 mp -85.65 91.4 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -90.19 -30.66 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.666 -173.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CD ' HH21 ' A' ' 31' ' ' ARG . 36.2 tt0 -142.9 128.19 18.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.966 0.412 . . . . 0.0 111.296 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -92.76 101.63 14.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.03 -54.85 35.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 112.075 -173.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.8 OUTLIER -149.5 114.71 5.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -172.08 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m -88.83 102.52 15.11 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' B' ' 63' ' ' GLU . 92.0 mt -74.1 -74.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -157.68 151.66 24.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.228 0.537 . . . . 0.0 111.649 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 0.6 OUTLIER -89.06 115.94 26.98 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.111 170.539 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.57 165.02 12.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.492 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 65.13 -71.34 0.08 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.922 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . 36.6 ttmt -168.98 -61.28 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.12 17.28 7.11 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.905 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.463 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 65.9 m95 -97.86 101.62 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.857 0.361 . . . . 0.0 110.465 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 22.8 m -86.57 137.71 32.29 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.053 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -114.42 115.84 27.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.567 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -148.67 154.38 39.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.1 -171.778 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.567 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 62.1 mt -100.03 123.39 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.951 176.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -123.46 166.8 14.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.23 0.538 . . . . 0.0 111.435 -174.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 53.6 ttp85 -122.82 107.16 11.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.093 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 11' ' ' ILE . 69.9 t -122.65 136.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.821 -170.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 10' ' ' GLU . 48.4 t -88.0 118.45 27.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.03 82.34 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.5 t30 53.31 26.07 4.98 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.268 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.92 174.49 25.81 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.033 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 71.05 153.12 0.14 Allowed Pre-proline 0 N--CA 1.467 0.393 0 C-N-CA 123.229 0.611 . . . . 0.0 111.12 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.16 40.11 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.104 2.536 . . . . 0.0 113.316 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HB1' ' HG2' ' A' ' 31' ' ' ARG . . . 67.81 114.43 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.47 0.708 . . . . 0.0 111.52 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 32.6 mmtp -95.12 178.7 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.468 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -99.03 129.55 45.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.55 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 33.7 t70 -135.14 130.31 35.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.992 0.425 . . . . 0.0 110.404 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.58 HG22 HD13 ' B' ' 57' ' ' ILE . 54.7 mt -107.95 104.6 17.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.55 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 10.2 ttp180 -136.49 169.74 17.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.463 0.649 . . . . 0.0 111.977 -170.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.88 146.56 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.055 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 84.7 m95 -115.81 133.67 55.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.324 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.483 178.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.108 0.48 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 173.12 156.77 13.41 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.577 -176.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' B' ' 55' ' ' LYS . 10.9 tt -156.14 139.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 111.64 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.5 133.74 35.63 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.302 0.573 . . . . 0.0 111.225 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.8 mt -119.28 143.38 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.024 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 t -93.6 -173.25 3.13 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.24 -35.64 81.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.854 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.87 -57.97 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.251 -176.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.612 ' HG3' ' HB3' ' B' ' 19' ' ' SER . 1.8 mp0 -56.43 -44.32 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 0.0 111.057 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.5 t80 -61.84 -53.4 56.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.729 -175.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.672 ' HG2' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.38 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.394 -179.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -61.22 -49.45 77.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 24.7 ptt? -61.95 -41.31 97.84 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.61 0.243 . . . . 0.0 110.463 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 89.7 t -54.5 -53.07 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.9 -48.67 77.96 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.049 0.452 . . . . 0.0 111.31 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.511 ' CB ' HD13 ' B' ' 16' ' ' LEU . . . -62.97 -36.25 82.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.898 -176.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 17.9 m-85 -72.8 -24.7 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.357 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 26.0 mmtp -66.92 -32.28 73.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.515 0.674 . . . . 0.0 109.433 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.02 26.2 25.37 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.636 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.09 -67.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HG21 ' B' ' 68' ' ' VAL . 12.2 tp -88.53 -16.93 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.936 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 9.9 tp10 . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 110.394 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -117.73 139.43 51.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.98 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.05 116.95 26.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.765 0.317 . . . . 0.0 110.632 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.602 HG12 HG22 ' B' ' 32' ' ' VAL . 37.7 mt -83.34 93.03 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.92 -27.14 25.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.59 143.95 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 111.024 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -117.66 114.55 23.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.57 HD12 HG22 ' B' ' 29' ' ' ILE . 29.7 mt -68.38 -58.25 4.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.993 -175.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.511 HD13 ' CB ' ' A' ' 70' ' ' ALA . 1.1 pt? -167.88 140.67 3.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.115 0.483 . . . . 0.0 110.801 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.635 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 21.5 m -80.04 123.54 27.93 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 169.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 63' ' ' GLU . 78.9 mt -78.06 -71.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.873 0.368 . . . . 0.0 111.417 -171.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.612 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 35.0 t -158.27 159.16 35.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.185 -176.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -112.48 111.44 22.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -90.64 177.13 6.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.979 -174.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.0 mp0 -50.78 146.92 5.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.81 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.588 ' HB2' ' HD1' ' B' ' 25' ' ' TRP . 34.7 mmtp 76.38 -5.94 2.09 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.206 0.942 . . . . 0.0 111.371 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.07 24.89 15.61 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.804 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.588 ' HD1' ' HB2' ' B' ' 23' ' ' LYS . 55.3 m95 -83.16 106.08 14.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' B' ' 46' ' ' TRP . 8.8 m -87.04 139.18 30.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.548 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -113.24 123.19 49.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.635 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 39.2 tt0 -142.98 147.56 35.37 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.389 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.57 HG22 HD12 ' B' ' 15' ' ' LEU . 55.4 mt -114.74 114.35 46.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.432 174.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -134.36 175.87 9.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.287 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -116.22 121.14 41.18 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.602 HG22 HG12 ' B' ' 11' ' ' ILE . 16.0 t -124.26 134.52 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.546 -171.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.5 t -100.04 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.9 110.79 22.15 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.152 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 69.58 -57.84 0.53 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.795 0.685 . . . . 0.0 110.853 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.73 -158.99 15.63 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 70.73 165.99 0.13 Allowed Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.595 0.358 . . . . 0.0 111.228 177.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 70.9 Cg_exo -49.15 125.22 12.97 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.733 2.289 . . . . 0.0 112.553 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.51 126.02 25.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.54 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -102.39 169.49 8.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.561 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 43.1 m-85 -90.02 122.67 33.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.284 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.52 119.35 34.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.509 ' O ' ' HA2' ' B' ' 56' ' ' GLY . 53.6 mt -104.15 105.19 18.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -135.24 172.71 12.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 0.0 111.803 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.8 147.29 38.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.132 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' TRP . . . . . 0.482 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 91.6 m95 -107.73 134.19 51.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 -179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 -177.791 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 99.1 mttt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' B' ' 43' ' ' ILE . . . 178.62 149.7 8.32 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.023 -177.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 43' ' ' ILE . 14.9 tt -145.02 140.58 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.1 p -96.32 126.81 41.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.176 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.8 mt -115.38 145.53 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.516 ' HB2' ' OE2' ' B' ' 63' ' ' GLU . 1.4 m -94.48 177.27 5.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.265 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.561 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 15.3 m120 -53.51 -44.31 69.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.398 -176.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.22 -50.05 20.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.527 ' HB3' HD13 ' A' ' 18' ' ' LEU . 1.7 mp0 -59.8 -35.75 75.32 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.981 0.42 . . . . 0.0 110.406 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.563 ' O ' ' HG2' ' B' ' 67' ' ' MET . 2.4 t80 -67.37 -48.15 68.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.733 -176.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.3 m -53.35 -44.99 68.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.441 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 14.8 ptt? -70.35 -31.63 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.966 -176.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 64' ' ' PHE . 94.8 t -57.88 -51.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.475 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' B' ' 72' ' ' LYS . 1.1 m-20 -62.45 -52.11 64.82 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.191 0.52 . . . . 0.0 111.577 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.556 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -62.44 -36.59 82.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.495 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -79.84 -4.59 52.84 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.437 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.641 ' HE2' ' HD2' ' A' ' 72' ' ' LYS . 15.1 ttmm -77.91 -28.16 49.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 164.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.56 -57.44 16.45 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.797 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -82.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 65' ' ' GLN . 5.9 mp -76.07 158.72 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.181 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.615 ' HB2' ' O ' ' B' ' 75' ' ' LEU . 20.9 tt0 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.095 0.474 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -91.68 141.67 28.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -78.83 92.94 4.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.805 0.812 . . . . 0.0 110.325 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.9 tpt -81.34 68.44 7.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.663 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.05 12.21 3.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.013 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -125.88 94.41 4.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.403 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -82.01 103.74 11.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.282 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 p -71.99 118.33 14.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.149 0.5 . . . . 0.0 110.669 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -106.29 126.5 52.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.562 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -142.57 133.44 25.6 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.546 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.0 mt -90.14 99.78 10.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.054 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.87 -20.59 30.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.998 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -139.94 115.43 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.204 0.526 . . . . 0.0 111.352 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -95.08 109.36 21.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.086 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 HG22 ' A' ' 29' ' ' ILE . 96.9 mt -66.55 -69.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.662 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.5 pt? -165.35 152.06 10.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.888 0.375 . . . . 0.0 110.987 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.672 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 37.9 m -88.06 128.03 35.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.464 171.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -76.44 -64.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -156.27 160.09 39.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.093 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -111.99 104.0 12.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -87.86 144.11 26.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.507 -169.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG3' ' HG2' ' A' ' 23' ' ' LYS . 9.7 tp10 61.54 -91.53 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.073 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HG2' ' HG3' ' A' ' 22' ' ' GLU . 14.0 pttm -176.36 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.367 0.667 . . . . 0.0 109.632 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.68 -12.98 6.19 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.877 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.42 ' HZ2' ' HD2' ' A' ' 52' ' ' LYS . 45.0 m95 -93.25 83.1 4.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.848 0.356 . . . . 0.0 110.342 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 m -85.84 136.68 33.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -130.01 117.55 20.22 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.672 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 17.9 pt-20 -148.9 174.81 11.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.28 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.58 HG22 HD12 ' A' ' 15' ' ' LEU . 40.9 mt -121.53 130.47 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.743 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.453 ' C ' HD22 ' A' ' 30' ' ' ASN . 0.3 OUTLIER -146.03 168.38 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.784 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 31.6 mtm180 -105.77 123.16 47.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.966 0.412 . . . . 0.0 110.566 175.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 49.4 t -101.28 126.78 55.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 1.8 m -89.68 108.33 19.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.948 178.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 96.6 m-85 -88.23 114.14 24.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 177.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 49.0 m-80 78.11 -38.21 0.24 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.047 0.842 . . . . 0.0 110.991 -175.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.52 -65.37 0.33 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.754 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -69.3 -52.85 14.41 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -175.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 9.9 Cg_exo -72.31 87.62 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.397 2.065 . . . . 0.0 112.478 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -107.85 102.26 11.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.879 176.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -116.64 179.32 4.04 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.01 -177.064 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.454 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 38.3 m-85 -82.19 135.71 35.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.349 -169.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 21.5 t70 -137.47 126.56 24.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.078 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.401 HG23 HG12 ' A' ' 29' ' ' ILE . 52.6 mt -104.02 107.34 22.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.562 ' HA ' ' HA2' ' A' ' 56' ' ' GLY . 12.1 ttm-85 -133.73 144.53 49.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.184 0.516 . . . . 0.0 111.798 -169.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.0 134.02 47.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.557 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -107.49 143.86 35.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.643 ' HB2' ' HA ' ' A' ' 51' ' ' THR . 13.0 m -103.2 165.65 13.21 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 47' ' ' SER . 37.5 Cg_endo -67.68 -153.58 0.03 OUTLIER 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.341 2.027 . . . . 0.0 112.297 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.22 148.19 6.76 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.805 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 73.74 -43.4 0.54 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.695 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.643 ' HA ' ' HB2' ' A' ' 47' ' ' SER . 35.3 m 70.85 137.7 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.312 0.577 . . . . 0.0 111.405 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HD2' ' HZ2' ' A' ' 25' ' ' TRP . 15.0 ptpt -135.94 -175.67 4.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.881 -176.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 23.6 mmt -67.63 114.65 6.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 0.0 111.763 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.35 36.72 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.094 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.77 -101.8 0.1 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.988 0.515 . . . . 0.0 111.386 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' A' ' 44' ' ' ARG . . . 81.54 103.85 0.37 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.495 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.532 ' HB ' ' O ' ' B' ' 55' ' ' LYS . 13.7 tt -120.79 128.93 76.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.325 0.583 . . . . 0.0 111.042 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.3 m -93.51 134.73 35.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.582 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.2 mt -117.83 144.94 44.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.6 p -83.55 164.08 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.802 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 8.2 t30 -56.45 -45.19 80.96 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.795 -176.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.77 -49.78 73.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.361 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.647 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.477 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 23.3 t80 -67.66 -44.81 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.42 -37.64 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.294 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.2 m -58.69 -53.18 61.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.491 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -64.6 -38.15 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.58 HG21 HD23 ' B' ' 75' ' ' LEU . 79.4 t -61.7 -42.68 95.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.121 -176.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.64 -49.5 77.28 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.0 -45.16 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.673 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.515 ' HB3' HG13 ' B' ' 68' ' ' VAL . 18.5 m-85 -71.79 -24.86 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.314 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.965 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 83.6 tttt -69.56 -33.57 72.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.71 -4.97 87.03 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.913 -176.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -155.54 -161.27 1.14 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 117.657 0.728 . . . . 0.0 110.886 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.518 ' CD2' HG21 ' B' ' 68' ' ' VAL . 29.9 tp 71.14 -32.15 0.24 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.67 1.188 . . . . 0.0 113.036 176.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -72.5 8.7 1.3 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.87 127.89 33.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.956 0.408 . . . . 0.0 110.846 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -60.78 137.45 58.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -75.02 52.68 0.57 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.669 0.747 . . . . 0.0 111.231 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -172.24 66.72 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -99.74 -25.32 14.42 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.075 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 C--O 1.243 0.742 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.808 179.107 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.809 0.337 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -142.0 149.83 40.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.633 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -82.31 104.18 12.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.26 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.3 ttp 61.44 85.17 0.12 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.055 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.62 86.73 7.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.911 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -146.05 146.75 31.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.248 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -97.72 130.08 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.22 0.533 . . . . 0.0 111.318 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 20.2 p -114.59 121.59 43.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.116 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -110.36 138.67 46.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.735 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 149.16 29.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.614 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.2 106.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.253 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -60.1 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.836 -177.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -135.16 131.19 36.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.5 117.44 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' B' ' 29' ' ' ILE . 68.5 mt -94.32 -71.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.108 -177.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 69.0 mt -132.54 137.88 47.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.0 m -106.08 100.75 10.28 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 171.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.08 -67.74 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.149 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -172.06 155.76 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -106.5 120.52 42.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -114.96 172.31 7.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.387 -168.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 52.78 -111.01 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.853 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -135.38 89.13 2.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.504 ' HA3' ' HB3' ' B' ' 48' ' ' PRO . . . 81.17 7.46 88.44 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.853 177.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -85.11 97.98 10.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -87.44 136.69 32.84 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.997 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -129.56 120.8 25.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.962 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 4.1 pt-20 -147.97 -175.76 5.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.145 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 65.7 mt -130.97 118.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.467 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -147.63 179.07 7.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 46.5 mtm180 -107.28 121.11 43.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.515 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 42.7 t -106.18 132.46 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.4 p -97.21 133.96 41.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.479 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.54 98.23 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 62.13 90.86 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.271 0.558 . . . . 0.0 111.622 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . 0.533 ' C ' ' HD3' ' B' ' 38' ' ' PRO . . . 101.82 -140.13 14.73 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -176.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.614 ' N ' ' HD3' ' B' ' 38' ' ' PRO . . . -126.5 50.58 5.06 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.614 ' HD3' ' N ' ' B' ' 37' ' ' ALA . 20.0 Cg_endo -95.5 52.58 0.19 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 122.922 2.415 . . . . 0.0 110.706 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' B' ' 32' ' ' VAL . . . -71.34 104.49 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.613 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 32.4 mmtp -101.42 171.56 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.443 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -83.5 116.43 22.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.236 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -116.14 115.96 26.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 -176.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.66 103.62 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.562 ' CB ' ' HA3' ' B' ' 56' ' ' GLY . 21.9 ttm105 -147.08 148.69 31.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.429 0.633 . . . . 0.0 112.452 -169.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.19 132.88 35.81 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.898 -1.047 . . . . 0.0 108.79 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -107.24 132.98 52.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 120.984 0.421 . . . . 0.0 110.012 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.547 ' OG ' ' HA ' ' B' ' 53' ' ' MET . 10.1 m -62.41 149.76 87.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.509 -176.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.504 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 58.2 Cg_endo -71.16 -167.29 0.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.842 2.361 . . . . 0.0 111.848 174.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -76.73 -1.39 27.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.676 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -107.13 -82.87 0.54 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.695 -173.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.45 -163.48 1.79 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.45 -175.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 57.5 mttp 73.38 175.86 0.26 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.068 0.947 . . . . 0.0 111.326 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . 0.547 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 0.0 OUTLIER -154.1 149.41 27.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.556 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.69 155.64 24.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.609 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.532 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 24.5 mmmt -93.1 28.86 2.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.8 0.44 . . . . 0.0 111.083 -175.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.562 ' HA3' ' CB ' ' B' ' 44' ' ' ARG . . . -56.49 147.15 32.63 Favored Glycine 0 CA--C 1.517 0.157 0 CA-C-N 115.999 -0.546 . . . . 0.0 114.255 -173.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 19.1 tt -123.07 140.3 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.07 0.462 . . . . 0.0 110.511 -176.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -99.4 134.71 41.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 66.6 mt -123.88 141.59 51.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.527 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.448 ' HA ' ' HD2' ' B' ' 40' ' ' LYS . 11.3 t -83.48 166.71 18.09 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -57.44 -43.85 84.23 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.94 -49.51 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.655 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -67.95 -40.97 83.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.383 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.412 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 17.8 t80 -62.56 -48.54 79.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.532 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.413 HE22 ' HG ' ' A' ' 75' ' ' LEU . 8.5 tp-100 -59.86 -36.99 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.4 m -57.61 -52.64 64.58 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.342 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.572 ' HA ' HD11 ' A' ' 16' ' ' LEU . 13.0 ptt? -63.68 -37.62 88.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.933 0.397 . . . . 0.0 110.387 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.518 HG21 ' CD2' ' A' ' 75' ' ' LEU . 49.2 t -64.61 -45.09 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.568 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.89 -41.18 97.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.441 . . . . 0.0 110.68 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.51 -53.53 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.05 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.4 m-85 -67.93 -30.17 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.693 0.282 . . . . 0.0 110.721 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.965 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 21.4 ttmm -54.71 -42.79 71.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.818 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.25 -14.49 41.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.383 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -100.42 -71.36 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -174.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.58 HD23 HG21 ' A' ' 68' ' ' VAL . 29.5 tp -67.39 -42.72 82.85 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -169.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.62 92.97 7.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -119.15 15.5 13.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.915 -173.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -80.14 -27.54 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.128 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -173.76 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.571 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -81.59 90.32 6.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 0.0 110.68 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -149.31 104.73 3.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.772 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 66.6 m170 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.484 172.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.661 0.267 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -104.02 176.41 5.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.665 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -113.08 91.76 3.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.44 0.638 . . . . 0.0 110.441 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.6 ttm -138.62 -45.45 0.49 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.643 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.67 -170.03 2.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.375 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 66.74 100.41 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.713 0.768 . . . . 0.0 112.057 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -145.46 122.82 11.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.058 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.707 ' H ' ' HB2' ' A' ' 35' ' ' ASN . 29.9 p -87.57 141.77 28.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.182 178.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.91 118.62 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.205 0.526 . . . . 0.0 110.112 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 10.8 mm-40 -108.91 119.78 40.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.763 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.77 96.27 6.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -101.89 -35.91 8.84 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -127.33 122.83 34.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 0.0 112.484 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -93.99 111.74 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.347 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 29' ' ' ILE . 94.8 mt -71.34 -53.81 12.91 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.57 145.33 1.2 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.53 170.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.879 HG23 ' HG2' ' A' ' 28' ' ' GLU . 89.3 m -89.95 119.6 30.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.46 173.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.62 -73.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.811 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.459 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 74.4 m -164.35 159.43 19.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.323 -176.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 45.9 tt0 -90.14 103.7 16.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 167.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 22' ' ' GLU . 2.7 t-20 -82.61 123.29 29.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.147 0.499 . . . . 0.0 111.747 -168.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' HG2' ' ND2' ' A' ' 21' ' ' ASN . 31.7 mm-40 43.01 -88.06 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.288 1.435 . . . . 0.0 114.424 171.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -89.18 23.92 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -172.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.86 3.1 62.39 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.201 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.402 ' HZ2' ' HD2' ' A' ' 52' ' ' LYS . 22.4 m95 -76.96 110.3 11.48 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -85.62 137.41 32.87 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.171 0.51 . . . . 0.0 111.022 -173.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HG2' ' CD2' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -113.52 116.12 29.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.414 176.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.879 ' HG2' HG23 ' A' ' 17' ' ' THR . 31.8 mt-10 -132.66 146.99 52.32 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.667 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.534 HG22 HD12 ' A' ' 15' ' ' LEU . 58.4 mt -111.95 118.89 58.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -137.9 178.57 7.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.987 0.422 . . . . 0.0 110.763 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.26 158.61 22.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 168.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 21.4 t -145.61 124.55 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 123.171 0.294 . . . . 0.0 111.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 68.4 m -79.95 130.87 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.881 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 94.2 m-85 -114.67 155.71 26.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.602 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.707 ' HB2' ' H ' ' A' ' 8' ' ' THR . 7.5 t30 -57.73 105.23 0.24 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.155 173.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.31 63.11 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 34' ' ' PHE . . . -146.98 138.65 13.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.661 0.231 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.59 166.18 22.84 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.404 2.069 . . . . 0.0 111.904 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' A' ' 32' ' ' VAL . . . -66.26 95.43 0.3 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 111.043 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -95.24 175.23 6.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.89 142.61 27.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.105 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -138.08 124.94 21.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.482 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.588 HG22 HD13 ' B' ' 57' ' ' ILE . 36.3 mm -91.07 107.11 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 174.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -110.8 122.12 47.05 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -163.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.64 111.96 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.063 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -123.79 147.25 47.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.142 0.496 . . . . 0.0 111.014 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.3 t -77.4 147.16 75.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.208 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -69.64 70.53 1.51 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.437 2.091 . . . . 0.0 112.25 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 55.66 76.77 0.26 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.863 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -149.84 160.39 43.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.295 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.0 m -76.29 74.39 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.444 0.64 . . . . 0.0 110.491 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD2' ' HZ2' ' A' ' 25' ' ' TRP . 62.2 mttm -140.62 153.78 46.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -94.65 130.77 41.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.117 0.484 . . . . 0.0 110.807 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.8 134.08 14.58 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.379 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 32.1 mmtp -94.27 26.84 3.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 0.0 110.826 -176.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' B' ' 55' ' ' LYS . . . -60.3 139.6 48.21 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.123 177.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 tt -126.21 135.2 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.07 0.462 . . . . 0.0 111.253 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.7 p -84.17 142.53 30.27 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.574 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.1 mt -124.54 138.55 54.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.112 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.8 t -84.72 172.58 11.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.56 -49.61 75.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.268 . . . . 0.0 110.759 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.94 -54.49 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.234 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 31.9 mt-10 -65.88 -45.35 82.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.125 -175.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' HD2' HD22 ' B' ' 75' ' ' LEU . 17.2 t80 -67.2 -43.71 81.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.972 -175.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.11 -41.05 97.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.489 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 93.8 m -57.84 -45.75 85.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.493 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.533 ' HG3' ' HE2' ' A' ' 71' ' ' PHE . 58.6 ttp -55.93 -54.34 45.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.1 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.578 HG13 ' HB3' ' B' ' 71' ' ' PHE . 65.0 t -55.03 -58.99 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.813 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -70.84 -30.09 66.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.506 -171.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -56.75 16.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.548 ' HB3' HG22 ' B' ' 68' ' ' VAL . 55.0 m-85 -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.077 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.615 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 86.7 tttt -54.09 -41.35 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 176.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.13 -28.14 11.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.174 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -86.97 -66.13 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.82 HD23 HG21 ' B' ' 68' ' ' VAL . 34.9 tp -68.63 -37.67 79.9 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.508 -172.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HG2' ' HE2' ' B' ' 72' ' ' LYS . 7.5 tp10 -79.96 98.6 7.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.462 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -136.78 18.59 3.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.041 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -147.86 -154.98 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.723 -174.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' A' ' 80' ' ' HIS . 22.1 t-160 76.77 -65.69 0.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.512 0.507 . . . . 0.0 110.659 170.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.511 ' HB2' ' O ' ' A' ' 79' ' ' HIS . 15.8 t-80 168.87 -62.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t60 175.7 -48.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.074 -1.421 . . . . 0.0 107.183 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 C--O 1.241 0.63 0 CA-C-N 114.636 -1.166 . . . . 0.0 108.636 170.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.07 106.17 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.561 0.538 . . . . 0.0 111.609 -175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -127.05 100.36 6.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.951 175.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.9 mmt -101.14 179.29 4.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.704 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.33 38.02 10.52 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 110.689 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.32 -53.77 43.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.681 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -146.5 101.55 3.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.985 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.4 m -100.98 118.62 37.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.722 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' B' ' 33' ' ' SER . 19.5 p90 -103.95 126.33 50.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -129.23 147.59 51.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.505 HG12 HG22 ' B' ' 32' ' ' VAL . 72.1 mt -90.27 110.63 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.447 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -80.0 -53.66 6.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.009 0.433 . . . . 0.0 110.841 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.24 128.64 53.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.486 -173.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -95.23 90.7 5.96 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.173 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.549 HD12 HG22 ' B' ' 29' ' ' ILE . 93.0 mt -55.53 -76.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.488 0.492 . . . . 0.0 112.147 -172.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.29 155.64 29.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.749 0.309 . . . . 0.0 110.526 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.705 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 47.7 m -92.26 133.1 36.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.065 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' B' ' 28' ' ' GLU . 84.5 mt -85.62 -47.6 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.124 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.471 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 4.5 t -163.84 154.09 15.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.616 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -128.63 125.3 37.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.805 0.336 . . . . 0.0 110.55 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.01 150.1 36.37 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.054 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 64.61 -96.87 0.05 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.045 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -166.34 22.7 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.46 -23.03 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.095 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -80.45 81.5 6.69 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 26.3 m -109.39 137.89 46.57 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.533 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -115.58 124.05 49.99 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.705 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 16.2 pt-20 -161.44 -174.77 4.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.885 0.374 . . . . 0.0 111.408 -174.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.549 HG22 HD12 ' B' ' 15' ' ' LEU . 42.1 mt -126.81 133.47 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.039 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.32 174.82 10.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.05 -176.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -111.87 131.77 55.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.505 HG22 HG12 ' B' ' 11' ' ' ILE . 59.4 t -127.0 133.5 68.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.429 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 69.6 m -106.4 135.64 47.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -102.46 97.39 7.63 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 69.94 -56.29 0.58 Allowed 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.912 0.757 . . . . 0.0 110.815 -172.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.04 -152.74 6.93 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.546 -1.021 . . . . 0.0 110.546 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 71.38 164.52 0.14 Allowed Pre-proline 0 N--CA 1.469 0.501 0 O-C-N 124.098 0.528 . . . . 0.0 111.122 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -49.8 124.08 11.78 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.869 2.379 . . . . 0.0 112.561 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.13 121.97 16.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.883 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -86.54 170.93 11.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -94.27 146.3 24.12 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.155 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.635 ' OD2' ' HD2' ' B' ' 44' ' ' ARG . 27.1 t70 -139.44 121.88 16.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.824 -176.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.513 HG12 HG12 ' B' ' 29' ' ' ILE . 55.2 mt -103.76 113.53 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.635 ' HD2' ' OD2' ' B' ' 42' ' ' ASP . 9.5 ptm85 -142.36 161.42 38.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.448 0.642 . . . . 0.0 112.473 -171.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.77 113.95 24.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.33 167.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -107.85 168.67 9.11 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.559 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.576 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 8.3 m -152.4 172.03 6.0 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.671 -172.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' HB3' ' B' ' 47' ' ' SER . 18.1 Cg_endo -60.95 -27.14 84.34 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.22 1.947 . . . . 0.0 111.068 171.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -145.21 104.84 3.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.891 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -93.65 63.52 3.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.226 0.536 . . . . 0.0 110.781 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 51.9 p -129.39 -15.28 4.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.474 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -72.3 -57.42 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.23 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 25.6 ptm -166.04 178.71 6.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.716 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 103.26 137.79 9.61 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.07 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.533 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 96.3 mttt -122.01 179.85 4.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.976 0.417 . . . . 0.0 111.219 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -156.26 139.17 6.37 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.588 HD13 HG22 ' A' ' 43' ' ' ILE . 11.7 tt -127.71 127.83 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.368 0.604 . . . . 0.0 111.467 -176.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.9 p -90.58 133.39 35.12 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.472 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 27' ' ' LYS . 94.5 mt -119.45 137.78 53.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.214 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 14.4 m -79.39 167.85 20.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.202 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -59.33 -46.51 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.125 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -58.81 -45.48 89.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 36.3 mt-10 -63.28 -45.52 91.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.541 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.4 ' HZ ' ' CZ ' ' A' ' 71' ' ' PHE . 3.5 t80 -66.79 -40.53 88.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.026 -175.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.46 98.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.788 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 57.8 m -58.91 -44.96 91.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.55 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -55.16 -49.97 70.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.199 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.82 HG21 HD23 ' A' ' 75' ' ' LEU . 53.8 t -63.19 -44.43 99.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.595 -173.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.562 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 20.8 t70 -71.08 -40.39 71.59 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.861 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' B' ' 74' ' ' ASN . . . -61.35 -45.49 94.19 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.058 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.578 ' HB3' HG13 ' A' ' 68' ' ' VAL . 41.0 m-85 -80.89 -26.03 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.5 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.615 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 28.9 ttmt -48.5 -47.58 38.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.152 0.501 . . . . 0.0 110.113 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.97 38.96 3.02 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.1 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.551 ' HB3' ' HA ' ' B' ' 71' ' ' PHE . 0.2 OUTLIER -137.93 -70.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.939 -177.627 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.561 ' HB3' HG11 ' A' ' 68' ' ' VAL . 27.1 tp -95.49 63.72 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.504 0.669 . . . . 0.0 111.235 -172.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.81 85.98 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -145.24 173.89 11.56 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.879 -171.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.2 t60 70.77 138.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 O-C-N 124.316 1.01 . . . . 0.0 110.453 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -55.62 128.23 33.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.485 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -60.36 118.49 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -68.35 112.33 5.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.287 -173.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 21.3 m80 . . . . . 0 C--O 1.245 0.862 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.973 176.196 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.5 tttm 58.84 73.0 0.5 Allowed 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.57 0.544 . . . . 0.0 111.888 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' A' ' 4' ' ' MET . 32.8 pttt -168.48 -49.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.057 176.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.539 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 22.6 ttt 54.19 22.99 3.89 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.367 0.603 . . . . 0.0 111.429 -175.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.98 140.53 52.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.329 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -118.96 -155.02 0.59 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.784 0.326 . . . . 0.0 110.28 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.46 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 91.7 m-85 -89.68 122.91 33.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.018 0.437 . . . . 0.0 110.922 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -103.12 138.96 39.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.591 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -112.95 129.13 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.025 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -128.12 130.87 48.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -86.05 114.16 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.845 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.476 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 70.5 mm-40 -84.44 -78.15 0.25 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.202 -176.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -127.61 132.93 49.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.783 -171.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -81.38 91.71 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -52.03 -47.97 64.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.494 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 29' ' ' ILE . 48.0 mt -146.52 135.71 22.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.342 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -105.88 97.61 7.41 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.69 -80.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.886 -169.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.0 m -159.54 173.41 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.191 0.52 . . . . 0.0 111.672 -172.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.37 142.66 46.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.387 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.491 ' HB2' ' HB2' ' A' ' 25' ' ' TRP . 0.9 OUTLIER -94.91 162.48 13.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.419 -179.083 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -34.18 40.77 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 124.308 1.005 . . . . 0.0 113.106 -171.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -78.09 3.36 15.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.598 0.237 . . . . 0.0 111.544 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.32 32.2 23.31 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.302 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.491 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 27.4 m0 -98.84 141.45 31.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.676 -0.262 . . . . 0.0 110.302 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -105.86 138.38 42.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.84 0.353 . . . . 0.0 111.519 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 15.7 ttmm -129.41 118.78 22.73 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.48 169.0 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.383 0.611 . . . . 0.0 110.806 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.567 HG12 HG23 ' A' ' 43' ' ' ILE . 70.5 mt -117.95 124.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.446 ' H ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -146.64 172.27 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.269 0.557 . . . . 0.0 112.395 -170.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.52 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 46.9 mtt180 -97.69 130.45 44.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.321 174.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -122.52 120.59 61.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -94.61 125.8 39.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -98.73 93.44 6.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.049 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' OD1' ' HA ' ' A' ' 7' ' ' PHE . 2.4 m-20 66.95 -64.81 0.23 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.095 0.872 . . . . 0.0 110.726 -174.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -126.07 3.2 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 173.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . 69.42 150.19 0.12 Allowed Pre-proline 0 N--CA 1.466 0.358 0 C-N-CA 123.004 0.521 . . . . 0.0 112.015 176.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 3.2 Cg_exo -77.87 38.63 0.69 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.313 2.675 . . . . 0.0 112.543 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . 65.32 106.1 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.366 0.603 . . . . 0.0 111.589 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 60' ' ' SER . 16.0 tptm -87.86 155.74 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.046 -175.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -88.01 126.43 35.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.464 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.62 128.96 27.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.626 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.567 HG23 HG12 ' A' ' 29' ' ' ILE . 62.0 mt -102.24 119.47 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 175.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -128.75 152.85 47.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.222 0.534 . . . . 0.0 112.183 -167.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB2' ' HG3' ' A' ' 27' ' ' LYS . . . -141.32 99.49 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.544 -0.753 . . . . 0.0 108.997 171.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -111.82 163.88 13.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.498 0.666 . . . . 0.0 111.707 -171.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -105.21 152.01 39.69 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.252 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.5 111.54 0.75 Allowed 'Trans proline' 0 C--O 1.24 0.598 0 C-N-CA 122.756 2.304 . . . . 0.0 111.969 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t70 64.44 -170.43 0.19 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.154 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -84.67 43.15 0.96 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.499 0.666 . . . . 0.0 110.578 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.8 m -77.52 -39.47 46.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.79 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HG2' ' CZ2' ' A' ' 25' ' ' TRP . 15.0 tptp -140.86 155.59 46.3 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -77.32 120.09 21.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.783 0.325 . . . . 0.0 110.26 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.76 147.8 34.25 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.409 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -95.91 171.92 8.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' B' ' 55' ' ' LYS . . . 150.93 166.09 13.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.651 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 tt -156.9 140.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.018 0.437 . . . . 0.0 110.774 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -94.46 141.58 28.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.904 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.471 ' HB2' ' HD1' ' A' ' 64' ' ' PHE . 5.3 mp -125.14 146.01 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.544 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 4.2 m -84.45 165.31 18.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.794 175.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -48.19 64.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 122.98 0.175 . . . . 0.0 111.252 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.58 -52.47 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.127 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.428 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 32.3 mt-10 -61.82 -44.4 96.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.203 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' O ' ' HG2' ' A' ' 67' ' ' MET . 5.9 t80 -65.69 -47.51 75.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.539 -177.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.89 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.8 m -55.8 -50.35 70.74 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.624 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 19.3 ptt? -64.12 -37.28 86.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.271 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.603 HG21 HD22 ' B' ' 75' ' ' LEU . 41.6 t -56.5 -56.36 14.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.211 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.677 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 33.7 t70 -69.03 -36.06 77.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.944 0.402 . . . . 0.0 110.778 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -48.91 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.193 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 16.4 m-85 -68.51 -43.92 75.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.974 -176.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 69' ' ' ASP . 23.5 pttp -73.23 -12.23 60.79 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.339 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.9 1.05 56.46 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.557 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -127.41 -52.81 1.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 111.262 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.572 HD23 HG21 ' B' ' 68' ' ' VAL . 47.5 tp -100.3 126.54 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 73.09 107.88 0.07 Allowed 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.989 0.805 . . . . 0.0 109.887 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -142.92 28.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.467 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -135.76 41.05 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.29 -11.66 60.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.812 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -91.25 93.12 8.94 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -93.05 -175.1 3.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.923 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.066 174.872 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -92.56 157.7 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.81 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -162.55 126.13 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.629 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -80.64 95.62 6.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.011 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 70.54 -80.49 0.04 OUTLIER 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.927 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -139.19 -166.29 2.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.654 0.264 . . . . 0.0 110.997 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.476 ' HA ' ' OD1' ' B' ' 35' ' ' ASN . 67.4 m-85 -50.3 144.65 7.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.048 -178.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -132.13 128.32 37.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.201 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 33' ' ' SER . 43.3 p90 -123.28 145.28 48.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 178.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -146.36 128.88 16.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.499 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.558 HG12 HG22 ' B' ' 32' ' ' VAL . 57.2 mt -80.18 96.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -86.0 -36.54 19.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.561 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' B' ' 31' ' ' ARG . 33.5 tt0 -130.84 142.64 50.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -171.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.3 136.04 53.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.467 HD12 HG22 ' B' ' 29' ' ' ILE . 96.8 mt -90.54 -69.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.52 143.9 7.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.098 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.67 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 33.4 m -80.02 114.84 19.23 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -59.54 -69.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.251 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.428 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 69.2 m -163.42 155.17 17.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.946 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -82.75 145.66 29.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.492 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 1.0 OUTLIER -99.06 143.95 28.75 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 8.5 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -170.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -93.97 1.1 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.04 13.71 55.89 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.492 ' HB2' ' HB2' ' B' ' 21' ' ' ASN . 30.0 m0 -98.9 164.25 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -175.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -129.53 139.12 51.62 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.117 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -134.57 124.74 25.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.76 0.314 . . . . 0.0 110.42 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.67 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.0 pt-20 -151.28 -178.5 6.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.173 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 43' ' ' ILE . 48.1 mt -125.3 131.07 72.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.874 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -134.71 174.39 10.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.348 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.549 ' HB2' ' HB3' ' B' ' 13' ' ' GLU . 18.1 mtp180 -112.93 129.58 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.226 174.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.558 HG22 HG12 ' B' ' 11' ' ' ILE . 41.3 t -122.02 124.98 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -176.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 17.8 m -82.2 142.66 31.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -120.72 106.22 11.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.615 0.245 . . . . 0.0 111.134 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.476 ' OD1' ' HA ' ' B' ' 7' ' ' PHE . 45.3 m-80 61.02 -92.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.266 0.626 . . . . 0.0 111.211 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.0 19.0 5.26 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.33 150.14 36.93 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.55 148.8 33.48 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.18 2.587 . . . . 0.0 112.532 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -62.65 117.97 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.997 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 98.3 mttt -94.63 175.0 6.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.012 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.58 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 93.0 m-85 -91.34 137.94 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.697 0.284 . . . . 0.0 110.762 -175.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -143.36 125.46 15.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.687 0.279 . . . . 0.0 110.561 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 29' ' ' ILE . 47.6 mt -98.13 123.03 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -139.37 146.95 40.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.262 0.553 . . . . 0.0 111.97 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.32 137.26 52.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.76 173.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -108.22 137.08 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.286 -174.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.618 ' HB2' ' O ' ' B' ' 52' ' ' LYS . 47.9 t -98.34 132.98 23.3 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.252 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.06 -25.36 4.1 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.715 2.277 . . . . 0.0 112.976 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -167.34 154.97 8.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.872 -0.149 . . . . 0.0 110.688 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 77.23 -10.99 1.26 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.649 0.78 . . . . 0.0 112.036 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m 65.45 81.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.501 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' B' ' 47' ' ' SER . 89.7 mttt -123.2 134.03 54.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.092 0.472 . . . . 0.0 110.325 174.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 88.1 mtp -96.98 111.5 23.69 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.641 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.39 45.98 3.44 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.278 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.63 ' HB3' ' O ' ' A' ' 56' ' ' GLY . 57.0 mttp 66.07 -174.04 0.18 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.985 0.514 . . . . 0.0 112.238 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.41 156.73 8.44 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.463 HD13 HG22 ' A' ' 43' ' ' ILE . 8.6 tt -158.06 133.68 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.162 0.506 . . . . 0.0 111.768 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 10.1 m -95.63 144.93 25.65 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.114 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -135.64 147.31 48.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.565 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -83.07 164.96 19.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.58 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 5.8 p30 -57.36 -48.46 78.95 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.58 -39.26 81.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.499 0.19 . . . . 0.0 111.127 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.21 -43.69 95.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.564 0.697 . . . . 0.0 109.565 176.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.495 ' O ' ' HG3' ' B' ' 67' ' ' MET . 9.3 t80 -63.56 -50.18 70.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.366 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -53.22 -39.35 63.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.045 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -60.83 -48.74 80.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.343 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -72.59 -30.68 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.157 -176.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.572 HG21 HD23 ' A' ' 75' ' ' LEU . 74.4 t -62.57 -44.57 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.625 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.23 -47.61 85.26 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.237 0.542 . . . . 0.0 110.642 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.455 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -60.18 -47.33 86.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.557 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.456 ' HB3' HG22 ' A' ' 68' ' ' VAL . 22.9 m-85 -78.23 -9.19 59.1 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 121.156 0.503 . . . . 0.0 110.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.595 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 85.6 tttt -82.86 -21.6 34.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 172.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.62 -23.31 50.83 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.218 -0.901 . . . . 0.0 113.117 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -158.79 -167.45 2.13 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 117.342 0.571 . . . . 0.0 111.252 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.603 HD22 HG21 ' A' ' 68' ' ' VAL . 0.4 OUTLIER 74.54 1.77 3.91 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.877 0.871 . . . . 0.0 111.902 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -84.8 66.59 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.251 1.024 . . . . 0.0 110.119 172.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -136.49 132.27 35.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.823 174.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -117.52 -88.68 0.6 Allowed 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.634 -0.827 . . . . 0.0 111.757 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 60.88 104.95 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.977 0.418 . . . . 0.0 110.742 -172.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -67.67 -22.25 65.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.637 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 32.8 m80 65.97 -87.64 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.232 0.613 . . . . 0.0 110.553 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.27 -0.872 . . . . 0.0 109.726 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 111.238 0.088 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 59.42 56.04 3.92 Favored 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.582 0.551 . . . . 0.0 110.739 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -74.45 80.2 1.92 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.25 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.772 ' HG3' ' H ' ' A' ' 6' ' ' GLU . 17.0 tpt -87.77 148.13 24.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.083 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.05 62.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 111.157 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.772 ' H ' ' HG3' ' A' ' 4' ' ' MET . 1.9 tm-20 -76.51 100.04 5.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.568 176.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -111.23 106.69 15.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.998 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.5 m -72.84 120.51 18.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.671 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -112.75 130.97 55.88 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HB2' ' OG ' ' A' ' 33' ' ' SER . 72.6 mm-40 -122.84 122.22 38.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.41 HG12 HG22 ' A' ' 32' ' ' VAL . 70.3 mt -80.86 104.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.21 -65.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.498 0.666 . . . . 0.0 110.85 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -134.05 141.09 47.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.835 -171.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -93.68 116.18 28.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 HG22 ' A' ' 29' ' ' ILE . 96.5 mt -65.58 -57.64 7.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.84 135.38 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.866 173.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 m -78.54 104.0 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.856 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 83.6 mt -56.44 -59.34 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.346 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -171.1 -178.13 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.864 0.364 . . . . 0.0 110.031 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.29 117.36 15.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -112.75 154.2 26.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.904 0.383 . . . . 0.0 111.72 -171.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 60.34 21.72 11.24 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.018 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.6 tttt 60.72 86.18 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.317 0.647 . . . . 0.0 111.022 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.44 -43.52 1.45 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.285 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -72.26 99.67 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.2 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 8.4 m -87.03 138.16 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.445 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HD3' HD23 ' B' ' 59' ' ' LEU . 38.5 ttmt -123.37 121.69 36.41 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HA ' ' H ' ' A' ' 18' ' ' LEU . 11.8 pt-20 -150.36 179.33 8.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.258 0.551 . . . . 0.0 111.929 -174.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.541 HG12 HG23 ' A' ' 43' ' ' ILE . 53.9 mt -130.6 120.41 48.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.471 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -143.7 -178.92 6.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.952 0.406 . . . . 0.0 111.289 -175.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 31' ' ' ARG . 12.9 mtp180 -106.3 119.38 39.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.911 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 11' ' ' ILE . 40.7 t -114.29 121.94 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.243 176.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 13.3 p -91.88 145.93 24.15 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -123.6 121.8 36.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.508 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 p30 47.33 30.75 1.6 Allowed 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.376 1.048 . . . . 0.0 112.983 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.36 -156.19 27.07 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.355 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.597 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -84.6 -52.56 0.52 Allowed Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 6.1 Cg_endo -47.43 115.94 1.6 Allowed 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.382 2.721 . . . . 0.0 113.111 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.59 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -104.03 164.77 11.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.224 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 32.9 tptt -124.14 150.94 44.53 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -78.22 114.88 17.52 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 25.7 t70 -118.69 123.86 45.94 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.096 0.474 . . . . 0.0 111.188 -175.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.594 HG22 HD13 ' B' ' 57' ' ' ILE . 52.4 mt -101.82 108.34 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.49 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 16.1 ttm-85 -142.77 145.89 33.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 0.0 112.517 -170.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -110.74 114.43 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.794 170.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -111.37 151.73 28.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.253 0.549 . . . . 0.0 112.27 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.1 t -78.11 142.59 64.2 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.694 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.67 -72.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.277 2.652 . . . . 0.0 114.029 -173.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -124.99 -35.3 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -85.89 124.65 32.61 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 p -69.51 102.67 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.513 0.673 . . . . 0.0 111.179 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -124.86 15.94 8.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.636 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.7 mmt 68.66 -168.02 0.18 Allowed 'General case' 0 N--CA 1.462 0.173 0 O-C-N 124.124 0.89 . . . . 0.0 110.594 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.33 -179.48 44.71 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.695 ' HE2' ' HA ' ' B' ' 57' ' ' ILE . 50.8 mtpt -104.47 128.68 52.43 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -164.38 144.31 9.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.849 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.23 145.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.383 . . . . 0.0 110.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.417 ' HB ' ' HG2' ' A' ' 40' ' ' LYS . 25.0 p -96.19 140.85 30.29 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.652 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -122.84 150.73 42.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.268 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.9 m -87.64 165.23 15.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -64.52 -35.93 82.57 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.08 -42.33 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.246 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' THR . 40.2 mt-10 -64.7 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.508 0.67 . . . . 0.0 110.125 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' O ' ' HG3' ' A' ' 67' ' ' MET . 4.4 t80 -62.36 -51.13 68.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.664 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.94 -31.64 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 75.9 m -55.14 -45.34 75.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.843 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -78.69 -29.63 45.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.513 -178.069 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 t -56.06 -53.43 38.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.286 0.565 . . . . 0.0 110.41 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.583 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 19.2 t70 -71.58 -34.03 69.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.961 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' CB ' HD13 ' B' ' 16' ' ' LEU . . . -63.82 -40.03 95.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.319 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -73.96 -24.03 59.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.995 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' ASP . 34.6 ttmt -58.76 -39.85 82.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.47 0.653 . . . . 0.0 109.734 171.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.23 45.12 1.51 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.741 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -161.49 -66.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.108 0.454 . . . . 0.0 111.596 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB3' HE22 ' B' ' 65' ' ' GLN . 4.8 mp -94.16 -22.95 18.13 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.147 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 49.2 tt0 -77.72 104.86 8.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.126 0.489 . . . . 0.0 110.714 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -107.61 67.83 0.7 Allowed 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 171.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -48.61 123.81 7.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.724 -1.126 . . . . 0.0 110.573 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -82.4 55.77 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.905 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.4 t60 70.45 -62.33 0.44 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.658 0.783 . . . . 0.0 112.603 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -59.84 112.79 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.0 t60 . . . . . 0 C--O 1.244 0.802 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.129 171.614 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -81.78 143.05 32.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.939 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -88.71 -97.01 0.09 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.857 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 66.4 mtt 60.52 -175.21 0.11 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.545 0.528 . . . . 0.0 111.253 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.21 -4.67 21.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.289 0.566 . . . . 0.0 110.858 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -88.99 83.85 6.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.805 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -74.81 119.33 18.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.811 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -72.71 139.86 47.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.922 0.392 . . . . 0.0 110.202 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -145.2 122.41 11.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.129 0.49 . . . . 0.0 109.915 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -133.12 148.76 52.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.309 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.92 124.05 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.082 0.468 . . . . 0.0 111.17 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.544 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 18.2 mm-40 -88.71 -42.92 11.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.691 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -162.0 121.79 2.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.977 -173.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.441 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.8 OUTLIER -94.09 137.3 33.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.011 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.488 HD12 HG22 ' B' ' 29' ' ' ILE . 67.0 mt -82.13 -58.15 3.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -174.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -152.36 149.42 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 177.355 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.669 ' HA ' ' HB3' ' B' ' 28' ' ' GLU . 91.7 m -92.31 121.34 33.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.583 173.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.67 -58.41 3.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -162.35 155.78 20.56 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.365 0.602 . . . . 0.0 112.098 -173.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -111.15 103.59 12.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 168.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' B' ' 25' ' ' TRP . 14.8 m120 -87.82 124.97 34.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.129 -172.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 55.02 34.07 21.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.19 171.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 pttm 39.98 83.01 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.866 0.866 . . . . 0.0 112.478 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.99 -46.7 0.48 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.518 ' CZ2' ' HD2' ' B' ' 52' ' ' LYS . 10.7 m95 -84.72 104.23 14.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.543 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.8 m -97.88 135.66 39.31 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.885 174.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.515 ' HG3' ' HB2' ' B' ' 45' ' ' ALA . 31.9 ttpt -134.6 123.77 24.34 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.669 ' HB3' ' HA ' ' B' ' 17' ' ' THR . 10.3 pt-20 -156.78 -179.27 8.03 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.465 0.65 . . . . 0.0 111.766 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.537 HG12 HG23 ' B' ' 43' ' ' ILE . 80.9 mt -117.37 116.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.972 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 8.0 p30 -139.49 168.12 20.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -174.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.3 mtm105 -103.26 119.23 38.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.683 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.56 131.38 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.43 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -91.34 113.84 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -88.73 121.85 31.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.752 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p30 43.91 -98.34 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.765 0.826 . . . . 0.0 112.295 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.42 32.33 3.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.872 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.22 155.72 41.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.65 140.32 46.21 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.065 2.51 . . . . 0.0 112.545 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.544 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -65.93 106.5 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.535 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.2 mttt -86.93 165.67 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.26 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -82.74 115.38 21.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.358 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -114.01 117.52 31.56 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.177 0.513 . . . . 0.0 109.743 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.537 HG23 HG12 ' B' ' 29' ' ' ILE . 8.1 mm -90.19 103.36 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -151.37 148.06 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.821 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' B' ' 27' ' ' LYS . . . -107.92 140.23 41.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.116 172.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . 0.543 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 9.8 p-90 -107.37 126.68 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.648 0.737 . . . . 0.0 110.316 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.474 ' OG ' ' HD2' ' B' ' 48' ' ' PRO . 22.9 t -91.89 155.12 43.57 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 114.108 -1.405 . . . . 0.0 110.085 -173.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.474 ' HD2' ' OG ' ' B' ' 47' ' ' SER . 47.6 Cg_endo -69.08 47.62 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.184 2.589 . . . . 0.0 112.744 175.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.62 ' CG ' ' H ' ' B' ' 50' ' ' HIS . 7.0 p-10 -170.43 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.67 177.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.62 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 67.5 m80 -143.87 -57.22 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 173.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 12.9 t -172.13 141.68 1.32 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.663 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.518 ' HD2' ' CZ2' ' B' ' 25' ' ' TRP . 56.8 mttm -117.78 -67.84 0.96 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 171.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 73.6 mtm -123.66 17.06 9.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 172.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -112.04 78.65 0.25 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.094 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -96.83 -47.93 5.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.461 0.648 . . . . 0.0 109.857 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.466 ' O ' ' HB3' ' A' ' 55' ' ' LYS . . . 91.62 -179.1 41.54 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.961 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.695 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 8.8 tt -148.94 141.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 122.42 0.288 . . . . 0.0 110.284 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 32.5 m -97.92 117.93 33.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.336 0.589 . . . . 0.0 111.127 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.586 HD23 ' HD3' ' A' ' 27' ' ' LYS . 56.4 mt -104.61 138.44 40.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.793 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.418 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 32.6 t -83.8 165.9 18.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -60.43 -27.68 67.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -64.09 -62.08 1.86 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.455 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.856 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 16.7 pm0 -72.17 -23.56 61.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 -177.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.577 ' O ' HG23 ' B' ' 68' ' ' VAL . 11.4 t80 -64.84 -52.47 56.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.118 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.463 HE22 ' HB3' ' A' ' 75' ' ' LEU . 7.6 tp-100 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.113 0.483 . . . . 0.0 109.88 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 42.7 m -53.63 -51.54 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.437 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -71.07 -32.06 68.63 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.598 -176.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 64' ' ' PHE . 66.1 t -53.61 -48.31 59.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.289 0.566 . . . . 0.0 110.063 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.0 -42.43 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.926 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -37.34 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.453 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 17.6 m-85 -72.46 -28.2 62.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.145 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 7.9 mmtp -64.25 -30.34 71.4 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.502 0.668 . . . . 0.0 110.171 171.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.57 27.87 18.54 Favored Glycine 0 C--N 1.316 -0.551 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.269 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -143.2 -64.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 64' ' ' PHE . 6.2 mp -89.82 -31.49 17.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' B' ' 72' ' ' LYS . 24.2 tp10 -76.99 89.76 3.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.908 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -129.3 -51.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.349 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -156.95 139.11 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -128.61 118.35 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.156 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -95.02 46.71 1.13 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.6 0.714 . . . . 0.0 110.113 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -68.79 -19.12 64.29 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.851 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.246 0.87 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.862 174.785 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.724 0.297 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -99.87 135.61 41.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.138 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -75.21 126.18 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.963 0.411 . . . . 0.0 110.436 177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.7 ttt -168.26 152.13 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.457 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.21 163.77 24.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 175.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.0 82.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.042 0.448 . . . . 0.0 110.362 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 58.89 -160.85 0.27 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.087 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m -115.73 118.48 33.16 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 171.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 33' ' ' SER . 50.5 p90 -126.41 147.48 49.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.084 0.469 . . . . 0.0 111.566 -174.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.49 153.61 33.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.376 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.5 mt -93.57 96.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 109.737 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 44.9 mm-40 -60.65 -43.18 97.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.1 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -157.42 126.21 5.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 -176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -83.57 103.89 13.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.411 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.484 HD12 HG22 ' A' ' 29' ' ' ILE . 67.7 mt -77.35 -64.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 -175.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' B' ' 67' ' ' MET . 87.8 mt -134.47 147.1 50.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.607 -173.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -106.56 117.45 34.08 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 10.0 mt -83.03 -68.41 0.71 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.56 ' HB3' ' OE2' ' B' ' 63' ' ' GLU . 22.8 t -179.8 171.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.571 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 13.4 tt0 -115.94 120.11 38.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.27 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 4.2 p-10 -115.36 169.57 9.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.436 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 57.98 15.85 3.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.975 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 58.56 96.71 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.392 0.615 . . . . 0.0 111.231 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.73 -34.99 5.36 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.749 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.526 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 40.0 m95 -76.37 96.49 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.286 0.565 . . . . 0.0 110.037 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 7.0 m -94.14 138.39 32.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HG2' ' HB2' ' A' ' 45' ' ' ALA . 35.5 mtmm -108.44 125.09 51.37 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 174.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -140.39 170.34 16.0 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.911 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.485 HG12 HG12 ' A' ' 43' ' ' ILE . 67.2 mt -120.84 119.8 60.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -147.2 166.63 26.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.222 0.534 . . . . 0.0 111.544 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HD3' ' HB1' ' A' ' 39' ' ' ALA . 54.5 mtt180 -87.09 141.09 28.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.939 174.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -126.98 133.53 68.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.153 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 20.8 p -113.11 123.4 50.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.146 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -97.48 113.11 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.639 0.257 . . . . 0.0 111.601 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 70.76 -60.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.957 0.903 . . . . 0.0 111.881 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.4 -127.38 4.22 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.684 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -135.54 42.99 0.81 Allowed Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 4.4 Cg_endo -85.72 93.02 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.161 1.907 . . . . 0.0 110.476 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.577 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -81.27 99.46 8.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.001 -172.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 75.0 mttt -101.8 174.4 5.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 171.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -100.3 125.98 46.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.611 -174.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.539 ' OD1' ' HB2' ' A' ' 44' ' ' ARG . 15.5 t70 -124.51 126.39 45.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.485 HG12 HG12 ' A' ' 29' ' ' ILE . 59.3 mt -98.59 104.68 16.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 173.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.539 ' HB2' ' OD1' ' A' ' 42' ' ' ASP . 3.2 tpp180 -118.54 143.06 47.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.304 0.573 . . . . 0.0 112.505 -167.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 27' ' ' LYS . . . -111.01 106.36 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.877 168.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.526 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 60.7 p-90 -108.77 143.04 38.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.093 0.473 . . . . 0.0 111.645 -175.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.415 ' O ' ' HE3' ' A' ' 46' ' ' TRP . 5.6 p -76.42 160.12 78.22 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.406 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.31 -31.1 55.1 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.861 2.374 . . . . 0.0 112.594 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -122.14 147.96 45.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -88.53 14.69 9.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -171.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.3 p -81.68 -10.32 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.799 0.333 . . . . 0.0 111.555 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -108.64 177.6 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.117 0.484 . . . . 0.0 111.414 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -92.97 170.16 9.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.856 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.55 125.68 1.42 Allowed Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -77.91 149.13 34.28 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.359 0.599 . . . . 0.0 111.272 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.505 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -164.05 -172.02 31.0 Favored Glycine 0 N--CA 1.442 -0.961 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.529 HD11 ' HD2' ' B' ' 27' ' ' LYS . 10.2 tp -140.11 128.91 26.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 117.292 0.546 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 p -91.01 118.71 30.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.702 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -121.48 134.4 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.017 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 m -83.41 166.35 18.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.807 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -55.53 -36.43 66.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.231 0.538 . . . . 0.0 110.961 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.91 -54.41 46.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.878 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.18 -38.51 85.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.772 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.66 ' HD2' HD21 ' B' ' 75' ' ' LEU . 3.2 t80 -61.61 -53.77 51.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.862 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -59.28 -38.15 79.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.678 0.275 . . . . 0.0 110.808 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.8 m -55.94 -49.93 72.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.57 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.539 ' HA ' HD11 ' B' ' 16' ' ' LEU . 22.3 ptt? -67.24 -36.57 81.91 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.291 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.588 HG21 HD22 ' B' ' 75' ' ' LEU . 77.7 t -59.33 -50.04 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.223 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.536 ' HA ' ' HG2' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -63.02 -43.39 98.89 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.869 0.366 . . . . 0.0 111.497 179.289 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.25 -40.92 91.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.099 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.614 ' HB3' HG13 ' B' ' 68' ' ' VAL . 22.6 m-85 -81.24 -35.28 31.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.935 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.578 ' HE3' HG12 ' A' ' 68' ' ' VAL . 14.8 ptpt -64.22 -25.92 68.28 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.581 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -102.46 11.36 56.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.309 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.94 -59.69 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.265 0.532 . . . . 0.0 112.37 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.743 ' HB3' HG11 ' B' ' 68' ' ' VAL . 19.7 tp -91.45 164.4 13.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.083 -170.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.535 ' HB3' ' HE2' ' B' ' 72' ' ' LYS . 1.0 OUTLIER 75.37 -73.56 0.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.484 0.714 . . . . 0.0 109.163 -179.088 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -173.15 151.39 2.08 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 169.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -87.23 157.1 19.4 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -53.94 134.88 43.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.826 0.346 . . . . 0.0 110.323 174.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -60.11 139.53 57.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.006 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -75.37 -38.22 60.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 109.819 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.611 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -93.58 81.44 4.33 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -139.75 7.14 2.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.022 -175.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.8 ttt -140.19 109.72 6.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.49 164.75 37.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.975 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -79.07 93.02 5.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.021 0.439 . . . . 0.0 110.323 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.415 ' HB2' HD22 ' B' ' 35' ' ' ASN . 62.0 m-85 -63.73 -70.47 0.22 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.987 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.0 t -132.52 137.61 47.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -145.02 141.74 29.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.764 0.316 . . . . 0.0 110.172 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.94 153.32 52.11 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.44 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -83.05 111.42 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.355 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.657 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 9.8 mm-40 -75.82 -49.91 16.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -150.3 117.42 5.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.74 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -78.75 107.74 11.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.502 HD12 HG22 ' B' ' 29' ' ' ILE . 88.1 mt -65.94 -69.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.495 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 67' ' ' MET . 1.2 pt? -155.75 161.52 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -99.28 127.83 45.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.585 174.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 82.1 mt -82.21 -59.61 2.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.986 0.422 . . . . 0.0 110.136 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -154.6 160.14 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.608 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' B' ' 23' ' ' LYS . 0.9 OUTLIER -129.87 106.02 8.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 2.9 t-20 -110.98 141.22 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.211 -169.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 63.81 10.63 5.31 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.865 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' OE1' ' B' ' 20' ' ' GLU . 47.3 tttm 56.79 84.23 0.09 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.033 0.533 . . . . 0.0 110.616 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.497 ' HA3' ' HG3' ' B' ' 48' ' ' PRO . . . 136.48 -35.48 2.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.753 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 77.9 m95 -87.5 84.21 7.17 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' B' ' 45' ' ' ALA . 23.5 m -92.98 136.52 33.19 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.068 -173.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.529 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -105.46 122.73 46.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.404 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -151.3 175.57 12.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.611 . . . . 0.0 111.608 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.542 HG12 HG23 ' B' ' 43' ' ' ILE . 51.1 mt -131.11 123.75 54.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.912 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -143.79 166.47 24.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.102 0.477 . . . . 0.0 111.361 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.628 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 45.9 mtt-85 -85.23 127.79 34.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.838 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.81 126.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.375 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 6.2 p -99.84 136.46 39.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -113.2 108.32 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.121 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.415 HD22 ' HB2' ' B' ' 7' ' ' PHE . 5.2 t-20 59.47 36.84 23.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.496 174.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.76 67.78 1.62 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.403 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -147.17 158.71 44.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -46.53 125.48 9.31 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.327 2.685 . . . . 0.0 112.182 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.657 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -62.92 125.17 23.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.877 -175.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 58.5 mttp -106.81 169.7 8.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 177.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' B' ' 15' ' ' LEU . 72.4 m-85 -99.47 116.83 32.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.3 . . . . 0.0 110.727 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -112.17 121.65 45.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 110.136 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.542 HG23 HG12 ' B' ' 29' ' ' ILE . 56.8 mt -101.63 109.88 27.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.729 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 8.5 ptp180 -150.71 -173.72 4.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.511 0.672 . . . . 0.0 112.156 -174.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' B' ' 27' ' ' LYS . . . -122.36 150.05 42.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.01 175.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . 0.514 ' O ' ' HA ' ' B' ' 25' ' ' TRP . 96.9 m95 -108.52 149.94 28.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.449 ' HB2' ' HB2' ' B' ' 52' ' ' LYS . 23.1 p -100.73 154.03 37.4 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.548 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.497 ' HG3' ' HA3' ' B' ' 24' ' ' GLY . 38.1 Cg_exo -59.96 -65.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.895 2.397 . . . . 0.0 112.795 -177.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -151.51 165.41 34.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.43 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 70.7 14.94 7.08 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.47 0.708 . . . . 0.0 110.391 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 36.8 p 46.28 73.9 0.16 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.138 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' B' ' 47' ' ' SER . 60.5 mttm -81.47 173.83 12.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.902 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 26.0 mmt -77.29 108.65 10.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.189 0.518 . . . . 0.0 111.287 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.25 95.42 0.34 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -86.12 172.15 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.729 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . -169.8 -179.71 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.767 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.505 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 21.1 tt -132.28 140.29 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.148 0.499 . . . . 0.0 111.008 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -100.67 129.63 46.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.312 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.4 mt -113.66 140.2 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -81.67 173.09 12.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.328 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -52.58 -56.76 13.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.79 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -64.66 -43.69 92.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.56 ' OE2' ' HB3' ' A' ' 19' ' ' SER . 40.8 mt-10 -61.1 -40.61 94.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.685 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -67.39 -45.88 74.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.085 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.404 HE21 ' HA ' ' B' ' 65' ' ' GLN . 0.0 OUTLIER -57.59 -44.18 85.22 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 177.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.5 m -53.75 -51.98 61.63 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.69 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.49 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.73 -36.48 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.113 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.743 HG11 ' HB3' ' A' ' 75' ' ' LEU . 48.7 t -61.39 -48.38 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-O 120.62 0.248 . . . . 0.0 110.893 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.54 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 22.6 t70 -62.9 -40.82 98.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.394 . . . . 0.0 111.132 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.93 78.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.153 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.23 -26.52 61.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.74 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 23.9 ttpp -57.98 -37.45 74.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.273 0.558 . . . . 0.0 110.142 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.64 33.97 6.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.926 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -152.29 -178.65 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 64' ' ' PHE . 6.5 mp 55.82 -162.34 0.16 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.823 0.449 . . . . 0.0 110.838 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.433 ' H ' ' HB3' ' B' ' 75' ' ' LEU . 33.4 tt0 66.32 163.67 0.18 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.463 177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -117.54 79.53 1.36 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.486 0.66 . . . . 0.0 109.494 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -104.07 144.93 30.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.079 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -70.9 -50.96 29.2 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -75.51 91.15 2.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.358 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -141.0 173.8 11.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.39 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.103 174.067 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -118.49 18.51 13.55 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 122.037 -0.414 . . . . 0.0 111.025 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 3' ' ' LYS . 33.0 tptt 61.92 24.01 14.23 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.682 173.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.9 ttp -70.31 129.01 38.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.309 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 68.85 19.49 8.31 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.906 0.754 . . . . 0.0 111.526 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' OE2' ' HD2' ' A' ' 3' ' ' LYS . 36.0 mt-10 -111.71 21.2 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.976 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -128.73 151.85 49.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.211 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.0 m -103.92 119.11 38.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.162 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -113.68 137.68 51.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.966 0.412 . . . . 0.0 110.568 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -144.68 141.0 28.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.076 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.507 HG12 HG22 ' A' ' 32' ' ' VAL . 58.9 mt -81.86 114.94 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -91.2 -52.34 4.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.175 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 56.3 tt0 -127.23 143.92 51.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.402 -174.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -115.9 116.2 27.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 29' ' ' ILE . 95.6 mt -76.19 -72.23 0.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.071 -174.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -158.31 164.62 36.22 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.145 0.498 . . . . 0.0 111.387 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.667 HG23 ' HG2' ' A' ' 28' ' ' GLU . 19.8 m -100.0 123.97 44.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.431 173.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' B' ' 63' ' ' GLU . 93.8 mt -77.8 -59.81 2.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.603 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.4 p -165.37 171.67 13.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 111.286 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -123.83 113.18 18.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 25' ' ' TRP . 13.5 m120 -106.16 147.42 29.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 63.11 -86.95 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.357 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -178.02 82.51 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.45 -20.58 6.94 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.105 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.478 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 91.8 m95 -81.87 82.96 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.2 m -87.3 137.51 32.28 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 3.7 ttmp? -115.21 119.62 36.96 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 17' ' ' THR . 37.0 mt-10 -138.11 167.34 22.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.039 0.447 . . . . 0.0 111.062 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 15' ' ' LEU . 40.0 mt -130.5 130.14 64.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.52 -0.763 . . . . 0.0 108.983 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.59 -174.99 4.75 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.564 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 12.3 mtp85 -121.62 106.08 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.792 -177.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 11' ' ' ILE . 77.7 t -101.23 140.55 19.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.39 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 t -108.79 146.24 33.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.81 0.338 . . . . 0.0 110.368 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -118.25 111.71 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.697 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 68.32 -73.11 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.563 0.745 . . . . 0.0 111.283 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.07 54.88 0.41 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -98.61 163.66 18.54 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 66.2 Cg_endo -75.33 17.21 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.577 2.185 . . . . 0.0 112.385 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . 67.05 105.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.451 0.7 . . . . 0.0 111.31 -178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 67.4 mttm -94.69 175.27 6.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.348 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -100.69 136.61 40.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.37 132.4 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.413 0.625 . . . . 0.0 110.493 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.519 HG23 HG12 ' A' ' 29' ' ' ILE . 59.8 mt -107.04 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.062 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.841 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 77.3 mtp180 -132.25 162.02 32.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.46 0.648 . . . . 0.0 112.075 -172.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.431 ' O ' ' HA3' ' A' ' 54' ' ' GLY . . . -111.45 142.61 43.5 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.047 171.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 78.1 m95 -108.06 125.09 51.16 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.9 0.381 . . . . 0.0 110.224 -178.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t -73.19 153.1 90.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.965 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.9 103.88 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.378 2.052 . . . . 0.0 110.901 172.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 50' ' ' HIS . 15.8 t70 68.13 -163.75 0.2 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.077 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.518 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 37.2 m-70 -89.65 37.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.274 0.559 . . . . 0.0 110.543 -173.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.9 p -75.89 -76.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.616 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -99.84 163.08 12.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.111 0.481 . . . . 0.0 111.283 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 40.5 tpp -82.92 114.57 21.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.238 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 45' ' ' ALA . . . -64.14 121.77 23.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.109 -177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -63.0 145.71 54.81 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.793 0.349 . . . . 0.0 110.097 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.841 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . -174.54 160.22 29.47 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.621 -178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.5 tp -124.05 133.77 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.898 0.38 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.8 m -94.58 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.329 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.77 132.93 52.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.067 0.46 . . . . 0.0 110.745 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.9 t -78.0 172.66 13.17 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -53.64 54.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.537 -173.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.1 -42.59 96.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.334 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' B' ' 19' ' ' SER . 39.2 mt-10 -60.57 -46.4 90.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.413 0.625 . . . . 0.0 110.235 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' A' ' 67' ' ' MET . 15.8 t80 -63.47 -46.7 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.095 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.18 -37.67 77.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.3 m -54.79 -52.69 61.83 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 15.6 ptt? -66.78 -36.11 81.65 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.617 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.569 HG21 HD22 ' B' ' 75' ' ' LEU . 43.9 t -59.56 -61.04 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.293 -176.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.24 -37.27 82.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.923 0.392 . . . . 0.0 110.6 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.64 55.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.254 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.63 ' HB3' HG22 ' B' ' 68' ' ' VAL . 23.0 m-85 -72.39 -32.08 66.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.616 0.246 . . . . 0.0 111.025 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.88 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 64.1 tttm -53.21 -36.26 60.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.461 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.34 1.35 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -148.69 -65.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.86 0.33 . . . . 0.0 111.745 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.73 HD23 HG21 ' B' ' 68' ' ' VAL . 25.6 tp -65.38 -39.96 92.91 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.998 -173.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -72.56 102.34 3.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.43 -175.48 5.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.672 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -75.1 69.49 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.256 0.551 . . . . 0.0 111.257 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -69.13 124.21 23.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.195 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -138.79 160.13 40.44 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.448 -173.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.5 t60 72.98 86.57 0.11 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 124.165 0.916 . . . . 0.0 109.668 -175.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.8 t60 . . . . . 0 C--O 1.249 1.044 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.464 -175.143 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.622 ' O ' ' HA ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -79.31 -8.25 58.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.694 0.759 . . . . 0.0 110.271 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.554 ' HD2' ' N ' ' B' ' 3' ' ' LYS . 0.2 OUTLIER -84.65 127.01 33.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.045 175.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 72.4 mtm 68.06 -168.4 0.19 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.773 0.671 . . . . 0.0 111.206 -173.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.08 -18.39 32.52 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -172.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.81 76.91 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.476 0.655 . . . . 0.0 110.566 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.622 ' HA ' ' O ' ' B' ' 1' ' ' MET . 48.0 t80 -75.3 -79.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.678 -173.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.404 HG23 ' CD2' ' B' ' 7' ' ' PHE . 6.5 p -103.28 128.37 50.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.833 0.349 . . . . 0.0 110.787 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.472 ' HB2' HG11 ' B' ' 32' ' ' VAL . 25.3 p90 -119.23 121.1 38.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.809 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.749 ' HB2' ' HB3' ' B' ' 33' ' ' SER . 18.6 mt-10 -120.08 117.23 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.177 -177.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.57 99.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.038 0.447 . . . . 0.0 110.076 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -88.46 -50.17 6.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.063 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' B' ' 30' ' ' ASN . 38.4 tt0 -125.25 125.72 44.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.626 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -99.7 121.98 42.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 29' ' ' ILE . 96.1 mt -97.01 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.794 -175.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 67' ' ' MET . 88.0 mt -132.79 147.23 52.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.481 ' HA ' ' HG2' ' B' ' 28' ' ' GLU . 45.3 m -106.16 101.08 10.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.1 -64.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.612 -172.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.458 ' HB2' ' HG2' ' A' ' 63' ' ' GLU . 41.4 t -155.04 150.73 27.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.766 -175.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -105.67 102.63 12.07 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -115.4 153.44 31.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 64.74 5.82 2.98 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.821 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.9 mttm 52.25 81.79 0.08 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.442 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.22 -26.3 3.4 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.166 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -103.85 93.97 5.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 0.0 109.855 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -87.21 137.18 32.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.202 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 35.3 ttpt -117.28 116.08 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.481 ' HG2' ' HA ' ' B' ' 17' ' ' THR . 46.7 mt-10 -134.8 170.74 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.438 0.637 . . . . 0.0 111.718 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.497 HG12 HG23 ' B' ' 43' ' ' ILE . 60.9 mt -117.78 136.37 55.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.843 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.489 HD22 ' N ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -164.68 -174.23 3.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -176.593 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.486 ' HD3' ' CE2' ' B' ' 41' ' ' PHE . 41.1 mtm180 -125.41 114.11 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.963 0.411 . . . . 0.0 110.502 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' B' ' 9' ' ' PHE . 58.2 t -100.34 137.11 28.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.886 -178.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.749 ' HB3' ' HB2' ' B' ' 10' ' ' GLU . 30.1 t -82.16 117.95 22.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.197 173.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.74 105.2 15.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 64.15 16.0 9.71 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.487 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.56 -149.48 16.74 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -174.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.486 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.65 171.61 0.09 OUTLIER Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 122.59 0.356 . . . . 0.0 111.362 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.486 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 52.2 Cg_exo -56.77 125.28 18.49 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.132 1.888 . . . . 0.0 111.906 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.06 125.21 16.55 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.896 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.781 ' HE3' ' HA ' ' B' ' 40' ' ' LYS . 0.6 OUTLIER -86.12 152.47 22.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.541 -177.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.486 ' CE2' ' HD3' ' B' ' 31' ' ' ARG . 22.6 m-85 -80.77 128.84 34.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.687 ' HB3' HG22 ' B' ' 58' ' ' THR . 8.3 p-10 -138.72 136.41 35.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.503 0.668 . . . . 0.0 111.424 178.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.497 HG23 HG12 ' B' ' 29' ' ' ILE . 52.9 mt -116.44 113.05 41.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.901 174.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.559 ' HB3' ' HA3' ' B' ' 56' ' ' GLY . 4.4 ppt_? -162.58 177.52 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.876 0.369 . . . . 0.0 111.695 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -114.58 155.86 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.951 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . 0.456 ' HB2' ' HA ' ' B' ' 51' ' ' THR . 67.8 p-90 -130.1 154.88 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.409 ' HB2' ' CB ' ' B' ' 52' ' ' LYS . 1.5 m -119.45 167.95 11.08 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.688 -170.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' B' ' 49' ' ' ASP . 43.8 Cg_exo -57.88 103.7 0.15 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.187 2.591 . . . . 0.0 113.202 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' B' ' 48' ' ' PRO . 14.4 t70 163.31 -76.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.839 1.255 . . . . 0.0 107.768 177.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -153.84 -47.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.02 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.456 ' HA ' ' HB2' ' B' ' 46' ' ' TRP . 33.1 m -152.27 -37.92 0.11 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.708 175.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.409 ' CB ' ' HB2' ' B' ' 47' ' ' SER . 31.6 tttp 68.41 -80.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.526 0.73 . . . . 0.0 110.542 -177.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 66.4 mtt -146.95 116.07 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.48 83.31 1.6 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.486 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -79.34 115.81 19.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.559 ' HA3' ' HB3' ' B' ' 44' ' ' ARG . . . 173.89 -154.72 20.31 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 11.6 tt -138.19 138.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.97 0.414 . . . . 0.0 111.154 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.687 HG22 ' HB3' ' B' ' 42' ' ' ASP . 16.7 p -102.95 133.04 48.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.493 174.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.805 HD21 ' HD1' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -144.27 168.64 19.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.722 0.296 . . . . 0.0 111.458 -173.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.551 ' HA ' ' HE2' ' B' ' 40' ' ' LYS . 12.1 t -96.6 173.18 7.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.367 0.603 . . . . 0.0 111.773 -171.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -29.37 70.61 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.618 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.96 -60.13 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.627 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 mp0 -57.71 -39.75 77.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.847 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.805 ' HD1' HD21 ' B' ' 59' ' ' LEU . 1.0 OUTLIER -56.65 -48.13 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.347 -178.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -67.07 -40.17 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.406 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.9 m -57.06 -49.46 75.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.429 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 23.6 ptt? -68.37 -32.79 73.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.73 HG21 HD23 ' A' ' 75' ' ' LEU . 48.6 t -60.89 -44.28 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.42 -48.45 72.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.448 . . . . 0.0 110.728 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.12 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.285 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 24.9 m-85 -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.88 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 81.2 tttt -76.94 -25.54 53.01 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.09 -11.09 50.4 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.827 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -123.27 166.66 14.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.447 -0.443 . . . . 0.0 110.168 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 68' ' ' VAL . 5.6 mp 58.42 -162.49 0.22 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.37 0.268 . . . . 0.0 110.477 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.428 ' H ' ' HB3' ' B' ' 75' ' ' LEU . 0.7 OUTLIER 77.06 -41.6 0.39 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.783 0.677 . . . . 0.0 110.171 174.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 14.1 p80 42.45 70.14 0.32 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.414 1.086 . . . . 0.0 112.654 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -98.71 54.91 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 173.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -159.19 153.85 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.505 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -70.3 178.03 3.05 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.044 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -75.26 170.18 16.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 0.0 110.72 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 p80 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.13 -179.62 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 121.111 0.482 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.64 165.06 25.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.149 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.41 139.42 58.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.279 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.71 111.42 23.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.075 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 34' ' ' PHE . . . -162.72 -51.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.035 0.445 . . . . 0.0 111.206 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.86 76.43 10.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.319 0.58 . . . . 0.0 111.172 -172.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -139.7 -77.48 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.366 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 t -133.94 161.87 33.6 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.606 -0.886 . . . . 0.0 108.606 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.581 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 49.2 p90 -140.68 147.24 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.631 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.7 149.68 33.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.586 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.84 98.99 7.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.5 -32.37 17.22 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.534 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 8.3 tp10 -123.44 141.57 51.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.941 0.4 . . . . 0.0 110.98 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -117.86 125.46 50.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.796 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.448 HD12 HG22 ' A' ' 29' ' ' ILE . 86.7 mt -100.58 -70.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.127 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 82.6 mt -134.98 147.62 49.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 -173.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -106.64 120.02 40.86 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 165.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.0 mt -87.98 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p -161.01 163.76 31.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 112.165 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -102.85 107.65 18.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.004 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.21 125.39 35.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.779 -174.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 58.1 20.67 7.16 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.102 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.3 tttp 55.72 84.04 0.08 Allowed 'General case' 0 CA--C 1.53 0.177 0 O-C-N 123.699 0.624 . . . . 0.0 111.078 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.64 -51.06 0.54 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.908 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -86.5 98.22 10.93 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 137.36 32.41 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.93 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 39.0 ttmt -112.74 131.24 55.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.875 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 11.7 pt-20 -148.09 174.0 12.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.337 0.589 . . . . 0.0 111.505 -178.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 15' ' ' LEU . 63.1 mt -123.31 122.54 65.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.734 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -148.05 -175.62 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.907 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.59 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 61.9 mtp180 -113.83 119.64 38.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.535 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.581 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 79.0 t -101.1 124.35 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.815 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.505 ' HB3' ' HA ' ' A' ' 37' ' ' ALA . 2.8 m -89.96 113.69 25.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.779 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.441 ' HB3' ' O ' ' A' ' 5' ' ' ALA . 95.9 m-85 -92.01 112.34 24.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.472 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 68.8 -63.67 0.35 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.853 0.861 . . . . 0.0 111.784 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.501 ' C ' ' HD3' ' A' ' 38' ' ' PRO . . . -98.47 -133.39 7.99 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -128.26 61.87 55.53 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.865 0.332 . . . . 0.0 111.808 174.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 93.6 Cg_endo -105.02 46.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 123.836 3.024 . . . . 0.0 110.687 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.59 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -52.85 107.05 0.19 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.572 -170.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 57.5 mttp -99.55 172.06 7.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.318 176.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.09 127.34 33.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.787 0.327 . . . . 0.0 110.282 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' OD1' ' HD2' ' A' ' 44' ' ' ARG . 13.0 t70 -130.99 119.11 21.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.1 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.596 HG22 HD13 ' B' ' 57' ' ' ILE . 54.2 mt -95.23 112.3 27.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HD2' ' OD1' ' A' ' 42' ' ' ASP . 10.9 ptm85 -145.22 164.25 31.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.488 0.661 . . . . 0.0 112.145 -169.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -126.02 127.31 45.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.831 172.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -108.29 146.86 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.425 0.631 . . . . 0.0 111.122 -177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.407 ' HB3' ' HD2' ' A' ' 48' ' ' PRO . 3.9 m -88.94 161.21 41.75 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.892 -174.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 47' ' ' SER . 14.7 Cg_endo -58.63 -43.84 41.66 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.419 2.079 . . . . 0.0 111.498 176.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -158.59 -66.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.2 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -76.38 106.59 8.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.288 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.4 t -98.16 162.13 13.36 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.863 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -99.13 -87.22 0.35 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -129.49 -44.1 1.25 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.12 113.09 1.96 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.448 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -95.41 99.11 11.07 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.057 0.456 . . . . 0.0 109.97 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.551 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -139.06 173.29 22.74 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.561 ' HB ' ' HA2' ' B' ' 56' ' ' GLY . 20.2 tt -148.86 142.9 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.481 0.641 . . . . 0.0 112.08 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.8 p -92.16 143.09 26.79 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.053 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.7 mt -128.25 129.59 46.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -77.64 171.08 15.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -58.48 -42.78 88.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.55 -53.45 54.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.243 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.42 -41.52 98.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.143 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.481 ' HZ ' ' CZ ' ' B' ' 71' ' ' PHE . 29.4 t80 -65.21 -44.63 87.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.75 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -63.18 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -53.04 -51.45 61.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.299 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 16.5 ptt? -66.16 -40.73 90.77 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.877 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.575 HG21 HD23 ' B' ' 75' ' ' LEU . 66.8 t -57.48 -52.31 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.778 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 18.9 t70 -64.45 -48.21 76.17 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 110.936 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.17 86.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.563 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -82.69 -35.31 26.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -62.62 -28.08 69.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.94 -178.367 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 72' ' ' LYS . . . -105.49 33.83 6.23 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.335 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -155.44 -53.38 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.732 0.266 . . . . 0.0 111.398 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.558 ' HG ' ' NE2' ' B' ' 65' ' ' GLN . 30.4 tp -109.49 33.59 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.81 -171.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -75.15 95.05 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.485 0.659 . . . . 0.0 109.835 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -98.98 26.62 5.63 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.184 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -53.92 134.79 43.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.718 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -53.58 127.11 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 110.36 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -72.79 157.81 36.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.16 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -132.48 159.43 39.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.179 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.3 m80 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.816 179.527 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt 74.2 -41.43 0.48 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.958 0.903 . . . . 0.0 111.786 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -82.35 93.6 7.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.709 0.766 . . . . 0.0 110.223 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.41 2.67 42.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.445 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.15 102.89 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.62 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -99.14 -13.71 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.998 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 35.5 p90 49.24 179.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.707 1.203 . . . . 0.0 113.323 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 36.6 m -133.21 118.58 18.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.126 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -108.11 133.22 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 151.11 36.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.218 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.7 mt -93.95 107.39 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.198 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.54 -40.41 35.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.154 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -149.09 114.81 5.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.106 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -98.36 125.41 43.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.35 -73.84 0.22 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.619 -171.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.45 148.79 29.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.081 0.467 . . . . 0.0 110.72 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.6 m -86.03 121.35 28.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.535 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.26 -63.21 1.13 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.4 m -164.4 170.92 15.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.36 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -106.79 107.35 18.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 172.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' B' ' 22' ' ' GLU . 6.6 t-20 -90.31 130.56 36.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.028 -170.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.431 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 22.1 mm-40 59.95 23.37 12.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.03 177.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' B' ' 23' ' ' LYS . 72.1 mmtt 52.11 87.95 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.443 0.639 . . . . 0.0 111.704 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.83 -47.21 0.95 Allowed Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.796 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -86.45 97.55 10.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.138 0.494 . . . . 0.0 109.748 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -85.4 137.47 32.91 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.409 ' CD ' HD11 ' A' ' 57' ' ' ILE . 30.3 ttpt -119.58 117.92 29.64 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -176.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' B' ' 29' ' ' ILE . 31.0 tt0 -135.86 155.5 50.22 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.85 -170.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.572 HG12 HG12 ' B' ' 43' ' ' ILE . 59.5 mt -108.69 115.61 49.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.334 173.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.26 174.45 10.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.847 0.356 . . . . 0.0 111.142 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.519 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 78.4 mtp180 -109.75 119.73 40.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.671 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.83 137.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.996 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' B' ' 36' ' ' GLY . 66.4 m -114.91 144.54 43.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 176.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.26 108.42 15.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.969 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 71.28 -61.0 0.5 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.047 0.842 . . . . 0.0 111.33 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' B' ' 33' ' ' SER . . . -92.36 -149.54 24.63 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 175.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 63.42 60.61 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.374 0.587 . . . . 0.0 112.238 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.2 -26.85 4.82 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.216 1.944 . . . . 0.0 111.227 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' B' ' 31' ' ' ARG . . . 43.76 78.78 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.773 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 95.3 mttt -91.89 157.55 16.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -79.02 128.53 33.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.036 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.34 134.03 44.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.866 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.572 HG12 HG12 ' B' ' 29' ' ' ILE . 52.4 mt -114.37 108.6 25.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.631 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.555 ' HA ' HD12 ' A' ' 57' ' ' ILE . 18.4 ptp180 -147.21 173.74 12.26 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.717 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.58 147.0 35.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.968 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -111.63 135.22 52.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.024 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.832 ' HB2' ' HA ' ' B' ' 51' ' ' THR . 5.4 m -82.01 142.01 47.71 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.393 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.23 127.02 14.39 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.64 2.227 . . . . 0.0 111.881 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 58.85 92.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.765 0.666 . . . . 0.0 111.272 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 66.26 104.56 0.04 OUTLIER 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.275 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.832 ' HA ' ' HB2' ' B' ' 47' ' ' SER . 9.4 t -62.52 143.22 57.44 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.092 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -115.13 -71.0 0.76 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.227 -172.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -108.6 97.9 7.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.909 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.22 62.71 4.52 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.784 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -74.98 127.56 33.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.197 0.523 . . . . 0.0 110.799 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.561 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . -177.49 -174.99 44.36 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.596 HD13 HG22 ' A' ' 43' ' ' ILE . 17.3 tt -136.93 133.53 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.225 0.536 . . . . 0.0 111.577 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -89.26 135.53 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.121 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -120.86 144.15 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.759 0.314 . . . . 0.0 110.708 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.4 m -79.77 168.0 19.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -56.2 -51.55 67.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.99 -49.3 77.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.136 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -57.0 -47.0 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.253 0.549 . . . . 0.0 110.629 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.492 ' O ' ' HG2' ' B' ' 67' ' ' MET . 7.3 t80 -62.19 -51.58 67.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.493 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.558 ' NE2' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.52 -38.68 72.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.704 176.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.0 m -60.14 -49.02 79.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.19 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 17.5 ptt? -64.64 -35.36 80.78 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.524 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.555 HG21 HD23 ' A' ' 75' ' ' LEU . 96.5 t -62.79 -57.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 0.0 110.477 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.9 -51.95 62.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.011 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 -50.95 67.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.132 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.481 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 14.8 m-85 -68.78 -28.86 67.15 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.698 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -63.35 -33.22 75.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.232 0.539 . . . . 0.0 110.068 174.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.98 25.38 26.55 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.446 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' B' ' 71' ' ' PHE . 3.0 t-20 -141.1 -68.01 0.4 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.788 0.294 . . . . 0.0 111.383 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.575 HD23 HG21 ' A' ' 68' ' ' VAL . 36.8 tp -80.28 -25.57 39.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.141 -0.223 . . . . 0.0 111.333 -172.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -62.66 113.34 2.94 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.142 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -133.23 110.44 10.12 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.551 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -93.17 147.0 23.26 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 171.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -71.19 -6.15 37.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.466 0.651 . . . . 0.0 109.52 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -110.01 105.45 14.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.063 173.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 29.5 m170 68.86 89.46 0.1 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.617 0.767 . . . . 0.0 112.967 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 . . . . . 0 C--O 1.252 1.224 0 CA-C-O 117.815 -1.088 . . . . 0.0 113.151 171.314 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 tpp . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.992 0.425 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -152.81 143.4 22.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.764 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -76.67 84.5 3.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.967 0.889 . . . . 0.0 110.13 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.48 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 36.5 ttp -149.73 -171.72 3.97 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.48 ' H ' ' HG2' ' A' ' 4' ' ' MET . . . -64.74 88.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.57 0.623 . . . . 0.0 109.632 170.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.92 131.96 27.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.546 -174.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -82.51 100.46 10.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.989 0.423 . . . . 0.0 110.67 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 p -80.18 118.24 21.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.624 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' SER . 21.2 p90 -104.46 127.99 52.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 109.823 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -137.15 146.97 45.62 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.621 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.469 HD11 ' HZ2' ' A' ' 46' ' ' TRP . 64.3 mt -77.97 117.29 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.028 0.442 . . . . 0.0 110.316 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.608 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 3.1 mm-40 -84.16 -44.89 13.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -155.28 127.17 7.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -78.88 116.08 18.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -88.89 -53.36 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.132 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.5 OUTLIER -154.38 113.13 3.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 -174.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.6 m -88.9 106.69 18.56 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.544 HD23 HD22 ' A' ' 16' ' ' LEU . 89.1 mt -73.7 -67.17 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.064 -169.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -168.95 172.28 7.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -172.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 32.3 tt0 -117.34 124.05 47.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.458 HD22 ' N ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -94.34 128.35 40.78 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 53.97 28.82 9.11 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.648 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 52.5 88.89 0.03 OUTLIER 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.575 -175.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' H ' ' HG2' ' A' ' 20' ' ' GLU . . . 152.23 -65.4 0.35 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.115 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -84.59 100.26 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.268 0.556 . . . . 0.0 110.621 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 6.8 m -86.93 139.76 30.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.141 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -113.73 122.72 47.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -139.28 151.55 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.491 0.662 . . . . 0.0 111.737 -171.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.509 HG12 HG23 ' A' ' 43' ' ' ILE . 63.0 mt -114.03 126.03 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.063 174.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -151.18 167.19 28.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.495 -173.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 51.4 mtp180 -99.63 125.92 45.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.721 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.9 t -113.33 130.54 67.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.048 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 12' ' ' GLU . 39.5 t -90.21 127.1 36.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.717 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -109.04 108.43 19.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 32.03 -86.45 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.242 1.417 . . . . 0.0 113.968 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.15 53.3 0.71 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.131 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . . . -148.78 148.93 29.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 122.067 0.147 . . . . 0.0 110.676 -178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 37' ' ' ALA . 35.7 Cg_exo -61.11 142.94 98.56 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.825 2.35 . . . . 0.0 112.013 178.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -59.45 123.04 15.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.348 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 70.7 mmtt -92.03 178.62 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.867 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -102.14 123.01 45.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.5 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 36.5 t70 -129.52 124.93 35.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.974 0.416 . . . . 0.0 111.178 -175.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 29' ' ' ILE . 60.1 mt -96.76 111.71 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.5 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 37.8 ttp-105 -138.44 158.01 45.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.186 0.517 . . . . 0.0 111.853 -165.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.77 143.8 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.79 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.469 ' HZ2' HD11 ' A' ' 11' ' ' ILE . 94.8 m95 -107.98 129.36 55.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.186 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.38 140.71 52.48 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.22 -31.29 75.53 Favored 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.494 2.796 . . . . 0.0 114.655 -169.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -102.0 -88.55 0.38 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.982 0.42 . . . . 0.0 111.195 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -113.64 178.07 4.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 m -74.65 90.69 2.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.788 0.328 . . . . 0.0 110.952 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -80.2 -64.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.7 mtt -138.0 84.58 2.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.786 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.05 64.11 3.98 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -85.9 150.69 24.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.408 0.623 . . . . 0.0 111.483 -175.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.46 -144.57 5.9 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.799 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.704 HD13 HG22 ' B' ' 43' ' ' ILE . 19.7 tt -153.88 130.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.24 0.543 . . . . 0.0 111.167 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.0 m -93.75 143.72 26.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.731 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -127.82 148.75 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.513 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 m -81.3 162.91 23.28 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.33 -45.43 76.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 2.4 mp0 -57.67 -48.95 78.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.38 -42.58 92.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.575 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.504 ' O ' ' HG2' ' A' ' 67' ' ' MET . 26.0 t80 -63.9 -45.64 88.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.566 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -35.34 79.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.423 HG22 HD21 ' B' ' 16' ' ' LEU . 56.6 m -57.69 -52.21 66.39 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.341 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 17.9 ptt? -62.06 -39.96 94.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.602 0.239 . . . . 0.0 110.472 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.479 HG21 HD23 ' B' ' 75' ' ' LEU . 94.0 t -61.96 -47.89 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.879 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.88 -46.75 77.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.616 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -63.48 -41.86 98.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.434 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.492 ' HA ' ' HB3' ' A' ' 74' ' ' ASN . 19.6 m-85 -75.36 -27.7 59.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.164 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.754 ' HG3' ' HE2' ' B' ' 72' ' ' LYS . 80.2 tttt -56.49 -40.01 74.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.91 39.28 2.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.952 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.492 ' HB3' ' HA ' ' A' ' 71' ' ' PHE . 3.7 t-20 -147.77 -75.34 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 111.56 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.521 ' HB3' HG11 ' B' ' 68' ' ' VAL . 22.3 tp -91.26 21.18 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.742 -169.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' HB3' ' HE3' ' B' ' 72' ' ' LYS . 3.8 pt-20 -81.7 -15.54 54.11 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 172.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -103.82 82.8 2.04 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.662 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -92.42 126.41 37.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 168.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -114.52 124.83 52.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.196 0.522 . . . . 0.0 111.23 -173.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -111.47 136.97 49.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.62 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -116.89 148.18 41.54 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.1 t60 . . . . . 0 C--O 1.243 0.76 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.748 178.48 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.591 0.234 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.651 ' HD3' ' H ' ' B' ' 2' ' ' LYS . 0.5 OUTLIER -116.42 -28.89 6.34 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.254 -178.257 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -168.39 154.0 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -134.26 166.89 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.633 0.254 . . . . 0.0 110.42 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.59 114.8 26.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.581 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 58.38 -101.76 0.13 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.277 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -173.23 176.48 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.657 ' HB ' ' HA ' ' B' ' 35' ' ' ASN . 27.9 m -113.91 139.04 49.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -157.7 136.61 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.901 0.382 . . . . 0.0 110.441 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -150.24 153.19 35.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.446 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.442 HD12 ' OD1' ' B' ' 30' ' ' ASN . 12.5 mm -93.76 102.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.415 ' OE1' ' HB2' ' B' ' 39' ' ' ALA . 11.0 pt-20 -83.34 -27.58 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -155.81 129.6 8.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.754 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -106.9 113.73 27.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.601 HD12 HG22 ' B' ' 29' ' ' ILE . 39.5 mt -57.37 -70.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 -167.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.616 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -158.07 146.17 18.69 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.154 0.502 . . . . 0.0 111.377 175.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 m -76.23 117.56 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.04 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.4 -58.94 3.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.774 0.321 . . . . 0.0 110.359 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.6 t -170.42 160.27 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -103.62 126.36 50.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.648 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.71 142.23 34.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.076 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.0 -19.63 32.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.913 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -72.12 -1.28 14.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.586 0.231 . . . . 0.0 111.359 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.32 26.81 27.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.568 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -115.5 158.64 22.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 m -124.41 138.03 54.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.116 0.484 . . . . 0.0 111.053 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.5 ' HD2' HD11 ' A' ' 57' ' ' ILE . 35.8 ttpt -118.01 118.98 33.41 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 40.9 tt0 -140.0 152.6 46.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.714 -173.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.601 HG22 HD12 ' B' ' 15' ' ' LEU . 55.5 mt -101.92 123.16 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 173.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.578 HD22 ' H ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -131.36 174.77 9.74 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.997 -174.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.65 ' HG2' ' HB1' ' B' ' 39' ' ' ALA . 32.7 ttp85 -125.33 114.19 18.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' B' ' 39' ' ' ALA . 20.4 t -106.61 133.75 50.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.623 -169.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -83.75 103.15 12.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -91.75 112.34 24.22 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.428 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.657 ' HA ' ' HB ' ' B' ' 8' ' ' THR . 94.1 m-20 66.59 -70.7 0.1 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.273 0.983 . . . . 0.0 111.636 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.84 -136.7 8.85 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.25 54.8 13.31 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -85.25 -26.15 1.5 Allowed 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.784 1.656 . . . . 0.0 111.372 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' B' ' 31' ' ' ARG . . . 51.12 85.54 0.04 OUTLIER 'General case' 0 C--O 1.233 0.189 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.56 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.12 158.71 18.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.767 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.566 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 46.7 m-85 -90.57 135.29 33.8 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -135.57 129.43 32.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.704 HG22 HD13 ' A' ' 57' ' ' ILE . 45.5 mt -109.39 115.03 48.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -142.74 163.05 33.86 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.489 0.662 . . . . 0.0 112.245 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.12 113.97 27.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.545 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . 0.402 ' HE1' ' HB3' ' B' ' 28' ' ' GLU . 61.8 p-90 -118.13 163.1 17.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.063 0.459 . . . . 0.0 111.489 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' B' ' 50' ' ' HIS . 41.4 m -120.82 161.24 41.05 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -63.51 -77.57 0.01 OUTLIER 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.867 2.378 . . . . 0.0 112.831 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -23.59 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.137 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' B' ' 47' ' ' SER . 47.0 m170 -73.3 126.54 30.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.297 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 7.0 p -81.45 -42.94 19.6 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.818 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 pttp 43.07 -153.74 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.337 1.023 . . . . 0.0 111.722 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 16.4 ptp -112.37 134.04 54.13 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.46 113.13 4.63 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.499 -175.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' B' ' 55' ' ' LYS . 25.1 mmtm -106.63 150.54 26.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.252 0.548 . . . . 0.0 110.505 174.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.469 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 168.77 -157.43 29.52 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -177.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 tt -158.84 135.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 117.542 0.671 . . . . 0.0 111.256 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 11.5 m -96.01 144.35 26.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.228 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mp -127.88 146.13 50.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.824 0.345 . . . . 0.0 110.477 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 6.3 m -85.27 173.87 10.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.398 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.566 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 5.2 p30 -54.06 -58.73 6.23 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.288 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.4 -42.72 96.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.807 0.336 . . . . 0.0 111.233 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.509 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 24.9 mt-10 -61.4 -48.27 81.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 -177.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.488 ' HD2' HD22 ' A' ' 75' ' ' LEU . 13.6 t80 -68.52 -38.72 81.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.414 -177.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.37 -44.08 97.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.284 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.7 m -56.43 -44.95 80.9 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.301 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.473 ' HA ' HD13 ' A' ' 16' ' ' LEU . 57.1 ttp -59.22 -57.56 12.5 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.184 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.521 HG11 ' HB3' ' A' ' 75' ' ' LEU . 82.6 t -56.57 -54.39 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.652 -176.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' B' ' 72' ' ' LYS . 31.1 t70 -58.35 -49.26 77.84 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.862 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.607 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -63.92 -44.9 91.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.161 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -69.33 -42.49 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.754 ' HE2' ' HG3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.12 -26.48 68.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -175.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.43 8.49 64.38 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.576 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -126.04 -63.54 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.432 -0.452 . . . . 0.0 111.758 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.479 HD23 HG21 ' A' ' 68' ' ' VAL . 55.7 tp -93.03 87.71 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.115 0.483 . . . . 0.0 111.079 -174.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.19 110.0 0.57 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -78.87 -8.35 58.75 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -168.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 43.1 m80 64.45 -77.87 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -122.92 50.23 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.0 110.454 -177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 71.37 -50.67 0.69 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.774 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -96.36 136.66 36.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 119.259 -0.4 . . . . 0.0 110.641 -179.657 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.821 -0.066 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt 57.69 41.93 24.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.16 0.505 . . . . 0.0 110.631 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -112.12 139.55 47.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.945 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.9 mtm -140.96 -63.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.131 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.15 -82.23 0.03 OUTLIER 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.9 0.75 . . . . 0.0 111.53 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -94.52 170.18 9.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.865 0.364 . . . . 0.0 110.391 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.77 98.45 11.41 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.9 m -71.59 118.37 14.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.05 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 33' ' ' SER . 39.5 p90 -107.2 136.06 47.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.418 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -128.18 126.8 41.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.888 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 32' ' ' VAL . 52.4 mt -81.97 95.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 -50.41 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.788 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -127.19 151.95 48.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -118.51 137.89 52.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 HG22 ' A' ' 29' ' ' ILE . 2.0 mm? -88.31 -70.11 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.837 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' B' ' 70' ' ' ALA . 1.6 pt? -169.36 167.73 9.93 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 m -99.9 130.25 46.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 171.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -53.71 5.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -160.06 153.38 22.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.147 0.499 . . . . 0.0 111.548 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.14 113.94 19.65 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -109.95 140.65 43.7 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 63.7 24.07 13.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 pttp 46.32 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.375 1.07 . . . . 0.0 112.562 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -47.5 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.009 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -77.36 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.954 0.407 . . . . 0.0 110.017 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.459 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 24.5 m -105.91 138.12 42.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.314 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -123.18 117.51 25.52 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -144.82 169.96 17.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -173.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.743 HG22 HD23 ' A' ' 15' ' ' LEU . 52.9 mt -126.87 133.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.942 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.517 HD22 ' N ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -148.45 169.39 20.34 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.74 -174.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 70.7 mtp180 -108.11 116.0 31.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.645 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 11' ' ' ILE . 15.8 t -122.5 135.63 61.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -176.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.532 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 18.0 m -96.9 104.4 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.191 175.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -89.91 92.71 9.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.604 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 61.28 19.67 10.35 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -135.46 173.24 21.82 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.703 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -81.47 -52.41 0.8 Allowed Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 177.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 59.1 Cg_endo -72.2 117.13 4.99 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.335 2.023 . . . . 0.0 112.859 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.86 108.67 12.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.552 ' HD2' ' HA ' ' A' ' 60' ' ' SER . 30.6 mtmt -84.09 169.99 14.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -86.04 114.19 22.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.555 ' HB2' HG22 ' A' ' 58' ' ' THR . 8.5 t70 -109.59 123.77 50.0 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.54 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.719 HG22 HD13 ' B' ' 57' ' ' ILE . 35.1 mt -100.15 111.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -126.44 131.99 51.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.261 0.553 . . . . 0.0 111.964 -170.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.79 107.4 15.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.409 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.459 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 54.7 p-90 -108.78 145.18 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.284 0.564 . . . . 0.0 111.742 -174.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 p -89.06 162.46 37.73 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.886 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.27 0.66 7.65 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.661 2.241 . . . . 0.0 112.091 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -136.76 145.29 44.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.586 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -75.14 142.43 43.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.081 0.467 . . . . 0.0 111.734 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.7 m 70.16 84.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.707 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -154.91 -176.05 5.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.481 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.7 mmt -77.98 71.86 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.146 0.498 . . . . 0.0 111.497 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -99.08 113.79 4.84 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.71 135.48 41.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . -156.63 149.3 20.08 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.93 137.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.769 0.319 . . . . 0.0 110.699 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 42' ' ' ASP . 51.6 p -98.54 121.55 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 0.0 110.739 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.9 146.56 27.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.027 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.552 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 8.5 m -80.28 159.97 25.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.489 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -51.2 -53.04 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.998 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.94 -40.11 95.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.473 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.64 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 109.774 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.525 ' O ' ' HG2' ' A' ' 67' ' ' MET . 4.1 t80 -65.75 -46.02 80.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.618 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -60.81 -38.89 86.94 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -55.26 -48.59 73.77 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.253 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.9 ptt? -69.68 -33.36 72.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.923 -177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.589 HG21 HD23 ' B' ' 75' ' ' LEU . 54.5 t -58.77 -52.7 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.219 -177.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.41 -38.82 91.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.532 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.54 72.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -79.74 -13.59 59.34 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 111.327 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.648 ' HE3' ' HG2' ' B' ' 76' ' ' GLU . 36.0 tttm -79.25 -18.84 52.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.495 0.664 . . . . 0.0 109.825 174.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -121.34 18.56 8.81 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.472 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.533 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 10.2 t30 -155.14 161.91 41.12 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 74' ' ' ASN . 27.7 tp 76.76 -60.2 0.47 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.421 0.45 . . . . 0.0 110.832 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -67.37 101.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.252 177.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -83.27 83.51 7.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.025 0.917 . . . . 0.0 109.057 174.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -77.14 70.12 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.796 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -122.96 3.48 9.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.827 172.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -83.39 142.29 31.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.369 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -101.71 119.96 39.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.917 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.476 -0.774 . . . . 0.0 110.042 -178.307 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -121.61 174.11 7.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.664 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.93 159.8 15.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.255 0.55 . . . . 0.0 111.937 -173.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.8 mmt -109.22 179.84 4.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.41 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.44 -61.07 1.58 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 0.0 110.082 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -111.66 -176.91 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.103 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -92.18 107.14 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -72.56 118.08 15.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.877 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -112.05 147.81 35.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -146.7 131.96 18.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.928 0.394 . . . . 0.0 111.107 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.564 HG13 HG22 ' B' ' 32' ' ' VAL . 4.0 mp -88.59 99.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -76.25 -59.13 2.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.078 -173.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.55 125.14 28.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.598 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -92.78 126.31 37.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' B' ' 41' ' ' PHE . 63.4 mt -70.04 -68.29 0.43 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.335 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' B' ' 28' ' ' GLU . 0.6 OUTLIER -155.52 152.37 28.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.193 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m -87.85 125.47 34.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.266 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.53 -55.46 5.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.922 0.391 . . . . 0.0 110.482 -177.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.4 t -169.13 179.79 3.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.528 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.26 109.44 11.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.508 ' N ' HD22 ' B' ' 21' ' ' ASN . 0.8 OUTLIER -95.99 135.6 37.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.427 -168.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 63.23 13.03 6.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.88 172.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? 56.23 71.56 0.55 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.229 0.537 . . . . 0.0 110.709 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.1 -34.86 0.49 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.08 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -107.56 103.21 12.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.146 0.498 . . . . 0.0 110.324 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 14.8 m -86.95 138.69 31.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -175.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.589 ' HD3' ' HB2' ' B' ' 45' ' ' ALA . 0.9 OUTLIER -106.05 115.64 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' B' ' 16' ' ' LEU . 44.0 tt0 -145.38 153.71 41.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.133 0.492 . . . . 0.0 111.698 -175.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.451 HG12 HG23 ' B' ' 43' ' ' ILE . 53.1 mt -108.74 114.8 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 175.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -136.93 156.6 48.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 0.0 111.004 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 20.4 mtm180 -90.75 126.44 36.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.788 0.328 . . . . 0.0 111.014 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.564 HG22 HG13 ' B' ' 11' ' ' ILE . 39.6 t -121.45 133.05 69.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.496 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 12.0 p -109.99 148.16 32.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.544 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.5 111.69 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.262 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 p30 49.1 24.2 0.88 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.566 1.147 . . . . 0.0 112.551 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.59 -161.08 20.11 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . 66.83 161.94 0.13 Allowed Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 122.944 0.497 . . . . 0.0 111.5 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.89 127.78 22.42 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.354 2.036 . . . . 0.0 111.786 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.67 125.27 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.014 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 90.4 mttt -87.61 165.87 15.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.407 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.405 ' HD1' HD11 ' B' ' 15' ' ' LEU . 28.8 m-85 -85.59 114.56 22.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' B' ' 58' ' ' THR . 36.0 t70 -111.26 116.88 31.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.084 0.468 . . . . 0.0 110.831 -176.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.451 HG23 HG12 ' B' ' 29' ' ' ILE . 51.2 mt -91.12 105.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -146.26 149.03 33.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.546 0.689 . . . . 0.0 112.435 -168.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' B' ' 27' ' ' LYS . . . -98.98 124.95 44.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.509 173.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . 0.419 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 32.4 p-90 -108.56 146.11 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 110.9 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 27.7 t -130.22 159.48 70.19 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.986 -170.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.81 119.32 6.43 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.045 1.83 . . . . 0.0 109.621 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -66.19 127.43 32.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.859 0.837 . . . . 0.0 111.852 -168.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.552 ' HB3' ' HE2' ' B' ' 52' ' ' LYS . 5.6 t60 -155.33 65.13 0.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 173.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.8 p 48.46 45.5 20.81 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.456 -172.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' B' ' 50' ' ' HIS . 68.3 mttm -113.32 145.06 41.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.945 -176.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 47.0 tpp -109.29 114.58 28.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.93 154.76 34.19 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.938 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -92.54 147.08 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.843 0.354 . . . . 0.0 110.757 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.35 168.64 38.02 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.827 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 43' ' ' ILE . 17.9 tt -143.9 136.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.094 0.474 . . . . 0.0 110.806 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 42' ' ' ASP . 4.9 m -96.97 139.93 32.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -124.42 138.67 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.6 m -82.94 170.6 14.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -55.58 -46.52 77.24 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.8 -55.75 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.706 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' B' ' 63' ' ' GLU . 21.1 mt-10 -58.76 -39.46 81.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.758 -175.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.558 ' O ' HG23 ' B' ' 68' ' ' VAL . 14.8 t80 -64.4 -53.09 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.195 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.42 HE21 ' HA ' ' B' ' 65' ' ' GLN . 0.0 OUTLIER -59.65 -30.28 68.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.306 179.026 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.9 m -59.93 -51.04 71.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.682 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.617 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 13.3 ptt? -66.73 -36.37 82.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.947 0.404 . . . . 0.0 110.116 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 64' ' ' PHE . 76.6 t -61.36 -40.31 85.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.139 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.05 -49.49 65.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.813 0.339 . . . . 0.0 110.964 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 16' ' ' LEU . . . -61.81 -52.48 64.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.186 -174.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' B' ' 67' ' ' MET . 27.6 m-85 -68.48 -31.47 70.77 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.622 -177.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.583 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 80.9 tttt -54.49 -43.04 71.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.184 0.516 . . . . 0.0 110.673 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.36 26.12 25.59 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -136.01 -62.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.791 0.296 . . . . 0.0 111.427 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 68' ' ' VAL . 14.7 tp -87.73 -0.19 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.003 0.43 . . . . 0.0 111.121 -171.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.648 ' HG2' ' HE3' ' A' ' 72' ' ' LYS . 8.2 tp10 -74.46 112.05 10.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 170.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -153.62 80.56 1.16 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.034 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -58.88 109.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.412 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -81.88 -38.71 24.97 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -129.59 141.58 50.93 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.887 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -69.51 -15.62 63.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.123 0.487 . . . . 0.0 110.898 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.925 176.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 121.005 0.431 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -137.51 14.16 2.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.953 172.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.759 ' HE2' ' HA ' ' A' ' 3' ' ' LYS . 7.8 mmpt? -110.46 -172.42 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.499 173.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 4' ' ' MET . 3.6 mpp? -62.25 -53.31 57.02 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.363 0.415 . . . . 0.0 111.541 -175.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.68 -77.34 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.829 0.706 . . . . 0.0 111.092 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 56.86 89.36 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.624 0.577 . . . . 0.0 111.809 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.513 ' HD2' HD21 ' A' ' 35' ' ' ASN . 69.6 m-85 -132.12 -75.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -114.23 153.79 29.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.039 0.447 . . . . 0.0 111.436 -172.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 33' ' ' SER . 38.0 p90 -145.0 139.37 27.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.646 178.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -137.22 152.74 50.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.64 0.257 . . . . 0.0 110.649 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.31 117.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.597 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 19.4 mm-40 -86.33 -44.32 12.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.355 0.598 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -154.36 145.07 22.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.596 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -103.29 123.22 46.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.527 HD12 HG22 ' A' ' 29' ' ' ILE . 82.1 mt -77.07 -66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.496 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' B' ' 67' ' ' MET . 0.5 OUTLIER -160.85 141.19 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.508 . . . . 0.0 110.503 176.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.628 ' HA ' ' HB3' ' A' ' 28' ' ' GLU . 15.4 m -88.97 125.95 35.2 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.66 176.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.549 HD12 ' HD2' ' A' ' 27' ' ' LYS . 62.8 mt -79.53 -66.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.755 0.312 . . . . 0.0 110.673 -176.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.454 ' HG ' ' HG2' ' B' ' 63' ' ' GLU . 6.6 m -140.8 150.78 43.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.943 0.401 . . . . 0.0 110.97 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.37 112.0 24.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.179 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -76.07 127.82 33.73 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.91 -14.17 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 111.278 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -70.06 -13.2 62.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 47' ' ' SER . . . 106.92 32.22 3.62 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.832 176.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.41 ' HD1' ' O ' ' A' ' 24' ' ' GLY . 2.5 m0 -135.73 117.5 15.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.668 0.271 . . . . 0.0 110.787 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -94.49 138.31 32.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.588 0.232 . . . . 0.0 110.521 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HD2' HD12 ' A' ' 18' ' ' LEU . 3.9 tmmm? -113.61 115.55 28.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.628 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 19.6 pt-20 -143.18 176.07 9.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.556 HG12 HG23 ' A' ' 43' ' ' ILE . 38.2 mt -119.4 118.48 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.43 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.47 164.51 22.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.023 0.439 . . . . 0.0 111.276 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 74.4 mtp180 -98.25 118.11 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 46.8 t -115.77 133.63 61.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 7.1 p -94.15 114.21 26.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.26 117.56 31.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.083 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.513 HD21 ' HD2' ' A' ' 7' ' ' PHE . 10.1 m120 61.78 25.65 15.46 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 174.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.89 -123.06 1.19 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.896 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.639 ' N ' ' HD3' ' A' ' 38' ' ' PRO . . . -130.55 46.13 2.09 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 177.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 34.4 Cg_endo -98.87 86.85 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.468 2.112 . . . . 0.0 110.885 169.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.597 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -71.98 94.08 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.668 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 94.6 mttt -92.75 179.54 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.019 177.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -109.35 115.48 30.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 58' ' ' THR . 18.2 t70 -116.61 128.85 55.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 -176.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.682 HG22 HD13 ' B' ' 57' ' ' ILE . 24.8 mt -105.67 111.31 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.534 ' HG3' ' HA3' ' A' ' 56' ' ' GLY . 11.2 ttm180 -147.69 155.08 41.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.106 0.479 . . . . 0.0 111.908 -170.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -106.39 120.94 43.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.909 172.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.499 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 5.8 p-90 -157.59 156.36 31.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.64 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.833 ' HB2' ' HD3' ' A' ' 48' ' ' PRO . 70.5 m -161.61 -62.22 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.515 0 O-C-N 123.419 0.449 . . . . 0.0 111.156 171.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.833 ' HD3' ' HB2' ' A' ' 47' ' ' SER . 4.9 Cg_exo -75.22 -178.34 4.14 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.402 2.068 . . . . 0.0 112.634 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -93.1 -49.36 6.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.462 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -74.3 119.04 17.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -169.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.5 p 49.34 97.53 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 170.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HE3' ' HB2' ' A' ' 46' ' ' TRP . 37.4 mtmm -127.18 117.2 21.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.158 0.504 . . . . 0.0 111.585 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 59.6 mtm -152.7 128.62 10.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.595 -1.184 . . . . 0.0 108.471 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.66 80.57 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.56 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.901 ' HG3' ' HA ' ' B' ' 57' ' ' ILE . 1.0 OUTLIER 69.84 96.85 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.625 0.726 . . . . 0.0 111.969 177.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.534 ' HA3' ' HG3' ' A' ' 44' ' ' ARG . . . -166.91 118.71 0.81 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.8 tt -145.14 143.81 21.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.164 0.507 . . . . 0.0 111.399 -173.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 3.0 m -92.79 142.75 26.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.139 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.0 mt -116.0 140.91 48.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -79.71 163.09 24.79 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -57.09 -46.2 82.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.23 -45.96 89.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.639 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.29 -39.47 94.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 110.287 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.626 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.1 t80 -64.08 -51.92 61.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.456 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.22 -35.08 71.15 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 111.261 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.3 m -59.24 -50.52 73.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -70.57 -24.62 62.8 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.646 -178.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 64' ' ' PHE . 75.8 t -57.65 -57.09 11.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 175.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.912 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 20.2 t70 -61.91 -46.18 90.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.993 0.425 . . . . 0.0 111.018 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' B' ' 16' ' ' LEU . . . -53.76 -56.15 20.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.157 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.574 ' HB2' ' HE3' ' B' ' 72' ' ' LYS . 50.7 m-85 -83.62 -1.25 53.49 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.959 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.912 ' HE2' ' HA ' ' A' ' 69' ' ' ASP . 22.4 ttpt -77.19 -24.52 51.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.55 19.56 26.17 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.911 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 43.1 t-20 -148.53 122.5 9.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.588 HD23 HG21 ' B' ' 68' ' ' VAL . 59.6 tp 74.37 -67.97 0.23 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.701 0.626 . . . . 0.0 111.015 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 61.58 -87.31 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 111.921 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 176.03 -54.08 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -104.03 -61.58 1.42 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.187 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 t60 44.16 -94.86 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.025 0.53 . . . . 0.0 110.192 -172.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -142.91 86.6 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 170.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -80.37 158.76 25.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.727 -172.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.686 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtm . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.929 0.395 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -79.35 -75.59 0.24 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.175 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -154.93 -169.61 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.272 -0.876 . . . . 0.0 108.94 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 70.0 mtm -96.17 -167.06 1.52 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.54 87.54 0.12 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.691 0.619 . . . . 0.0 109.719 -170.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.73 -40.67 97.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.03 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' B' ' 35' ' ' ASN . 45.0 t80 55.46 85.29 0.07 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 122.229 1.014 . . . . 0.0 111.064 -177.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -124.43 162.04 24.74 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.591 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -108.34 129.94 55.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.158 0.504 . . . . 0.0 110.514 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' B' ' 33' ' ' SER . 6.8 mm-40 -112.93 122.51 47.84 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.4 mm -90.58 90.36 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.43 -35.87 22.75 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.274 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -158.75 142.59 15.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.065 0.46 . . . . 0.0 111.333 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.485 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 0.3 OUTLIER -106.68 142.89 35.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.506 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.627 HD23 HG22 ' B' ' 29' ' ' ILE . 2.4 mm? -72.4 -54.08 10.4 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 1.6 pt? -164.5 159.17 19.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.902 176.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.587 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 32.0 m -99.98 121.67 41.71 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.46 175.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.04 -63.63 1.02 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 p 178.87 167.77 0.92 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.734 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 14.0 pt-20 -110.9 138.94 46.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -110.82 148.93 31.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.669 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 64.93 9.05 5.07 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.739 0.65 . . . . 0.0 111.529 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' B' ' 23' ' ' LYS . 19.8 tptm 55.35 95.8 0.02 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 110.538 -173.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.8 -48.25 0.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.059 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -81.84 88.04 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.163 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 22.0 m -86.73 137.97 32.01 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.979 -178.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HB3' ' HE2' ' B' ' 27' ' ' LYS . 35.8 ttpt -127.67 127.91 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.587 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 17.2 pt-20 -156.69 -176.91 6.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.007 0.432 . . . . 0.0 110.966 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.653 HG12 HG12 ' B' ' 43' ' ' ILE . 53.4 mt -120.09 130.27 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.433 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.1 OUTLIER -141.6 176.22 9.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.513 0.197 . . . . 0.0 111.084 -175.345 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.425 ' HB3' ' CB ' ' B' ' 39' ' ' ALA . 46.6 mtm105 -111.49 117.85 34.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.263 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 t -107.45 121.89 60.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.613 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.523 ' HB2' ' HB2' ' B' ' 10' ' ' GLU . 0.8 OUTLIER -84.2 110.03 18.21 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -93.33 137.32 32.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.882 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' B' ' 7' ' ' PHE . 26.3 t-20 72.32 -68.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.878 0.736 . . . . 0.0 111.233 176.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.12 48.28 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . -140.75 172.97 5.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -174.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 2.1 Cg_endo -43.22 143.34 2.18 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 123.2 2.6 . . . . 0.0 112.553 173.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -77.06 140.83 40.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.803 -173.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -101.13 154.94 18.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.135 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -74.91 125.47 28.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -131.57 133.11 44.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.91 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.653 HG12 HG12 ' B' ' 29' ' ' ILE . 56.2 mt -108.55 114.82 47.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -144.24 169.36 18.04 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.882 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.59 150.04 31.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.746 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -107.32 125.17 50.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -87.43 141.49 32.45 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.855 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -58.33 117.16 3.83 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.828 2.352 . . . . 0.0 110.921 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 62.86 -88.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.703 0.627 . . . . 0.0 109.312 -171.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.513 ' HB3' ' H ' ' B' ' 51' ' ' THR . 0.0 OUTLIER 177.26 -132.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.322 0.649 . . . . 0.0 109.467 171.549 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.513 ' H ' ' HB3' ' B' ' 50' ' ' HIS . 43.2 p 50.74 25.95 2.33 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.321 0.581 . . . . 0.0 111.842 -175.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 50' ' ' HIS . 48.3 mmtm -127.98 -175.02 3.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.036 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 58.2 mtt -87.72 -75.55 0.41 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.396 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.35 -98.81 2.31 Favored Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 65.15 -169.07 0.2 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.339 0.59 . . . . 0.0 112.417 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.61 -146.88 12.4 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.901 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 18.7 tt -143.1 138.66 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.15 0.5 . . . . 0.0 111.244 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.71 140.63 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.305 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.0 mt -123.76 138.11 54.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.292 0.568 . . . . 0.0 110.407 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.746 ' HB2' ' HG3' ' B' ' 63' ' ' GLU . 20.3 m -83.54 171.46 13.33 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.101 175.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.98 -55.66 32.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.6 0.238 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.35 -35.06 79.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.95 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.746 ' HG3' ' HB2' ' B' ' 60' ' ' SER . 30.3 mt-10 -62.79 -50.3 71.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.195 0.521 . . . . 0.0 109.962 177.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.535 ' O ' HG23 ' B' ' 68' ' ' VAL . 31.9 t80 -59.8 -46.82 88.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -53.27 -46.22 69.16 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.145 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 69.1 m -56.88 -48.13 78.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -70.81 -34.72 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.553 -175.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.779 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 69.0 t -59.1 -64.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.264 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.84 -37.09 80.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.63 0.252 . . . . 0.0 111.17 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.48 57.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.471 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.779 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 34.0 mmtt -69.66 -25.46 63.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.87 30.7 8.43 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.745 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -150.89 -59.82 0.18 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.84 0.32 . . . . 0.0 111.117 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 68' ' ' VAL . 29.6 tp -78.17 -19.25 54.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.369 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -86.76 99.13 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -130.38 -4.16 4.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.67 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 m80 62.17 -84.13 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.17 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -152.15 -62.19 0.17 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -145.49 -164.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -73.24 -80.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 111.159 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.075 -178.223 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -92.06 99.82 12.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.607 0.717 . . . . 0.0 109.999 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -135.44 -49.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.159 -174.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ttt -82.34 -50.02 9.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.104 -171.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.64 24.12 12.92 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.095 0.474 . . . . 0.0 110.245 -174.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.77 -78.54 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.226 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -90.85 106.34 18.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.378 0.608 . . . . 0.0 111.318 -174.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -98.44 148.8 23.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -152.76 134.29 14.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.0 0.429 . . . . 0.0 111.026 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -140.23 153.43 46.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.994 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.559 HG12 HG22 ' A' ' 32' ' ' VAL . 51.8 mt -92.98 115.94 32.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -91.42 -23.5 20.01 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.654 -175.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -157.34 141.93 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 111.113 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -101.22 116.39 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 29' ' ' ILE . 92.4 mt -65.66 -58.98 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -176.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.8 153.92 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 m -102.14 123.29 45.74 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.97 -57.3 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.035 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 p -167.79 -179.49 4.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.29 0.567 . . . . 0.0 112.164 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -122.48 116.01 23.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.558 173.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -106.64 152.32 23.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.414 0.626 . . . . 0.0 112.495 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 61.43 -89.29 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.317 168.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -131.31 26.8 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 111.417 -173.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.64 3.76 23.55 Favored Glycine 0 CA--C 1.506 -0.494 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.743 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.412 ' HZ2' ' HD3' ' A' ' 52' ' ' LYS . 31.1 m95 -64.48 104.61 0.81 Allowed 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 1.6 p -85.68 136.4 33.38 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.421 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 32.8 ttpt -120.0 116.13 25.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.962 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -141.83 175.89 9.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.06 0.457 . . . . 0.0 111.147 -173.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.554 HG22 HD12 ' A' ' 15' ' ' LEU . 54.5 mt -125.19 114.9 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.909 176.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.68 168.0 18.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.584 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 17.3 mtm180 -108.72 124.44 50.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.559 HG22 HG12 ' A' ' 11' ' ' ILE . 50.4 t -109.34 120.78 61.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -176.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 8.1 p -82.55 109.28 16.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.93 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.58 ' O ' ' HD2' ' A' ' 38' ' ' PRO . 94.3 m-85 -87.77 124.24 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.843 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 p30 48.52 22.64 0.51 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.417 1.087 . . . . 0.0 113.169 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.54 -93.75 0.54 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.515 173.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.576 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -65.72 -55.75 21.69 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -169.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 34' ' ' PHE . 16.0 Cg_exo -67.54 95.15 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.483 2.122 . . . . 0.0 113.287 -173.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . -97.58 98.83 10.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -99.71 174.5 6.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -88.38 136.76 32.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 44' ' ' ARG . 7.5 t70 -138.46 121.39 16.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.668 -176.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.482 HG12 HG12 ' A' ' 29' ' ' ILE . 56.3 mt -103.77 120.68 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.415 ' HB2' ' OD1' ' A' ' 42' ' ' ASP . 32.7 ttm180 -140.64 135.91 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -112.83 106.92 15.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.131 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -114.41 147.12 39.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.167 0.508 . . . . 0.0 112.168 -172.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 t -64.49 138.87 97.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.729 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.25 87.77 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.388 2.725 . . . . 0.0 113.578 -173.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t70 55.74 34.3 23.1 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.491 173.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -149.17 129.19 13.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.4 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -56.44 121.5 9.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.683 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HD3' ' HZ2' ' A' ' 25' ' ' TRP . 4.2 mttp -158.64 -80.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.275 174.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.9 mtt -147.99 162.39 39.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.086 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -140.34 73.21 0.4 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -67.25 116.64 8.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.929 0.395 . . . . 0.0 110.671 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.77 -175.2 33.56 Favored Glycine 0 N--CA 1.441 -1.024 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.437 HD13 HG22 ' B' ' 43' ' ' ILE . 20.9 tt -149.54 139.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -85.77 129.72 34.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.137 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.18 168.14 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.19 0.519 . . . . 0.0 111.313 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.0 m -127.18 178.33 6.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.197 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.25 -42.2 99.15 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 111.355 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.02 -49.93 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.5 0.667 . . . . 0.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -61.16 -45.1 96.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.031 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.684 ' HA ' ' HE2' ' A' ' 67' ' ' MET . 0.2 OUTLIER -58.86 -49.7 76.75 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.007 -179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' NE2' ' HB3' ' B' ' 75' ' ' LEU . 6.7 mm-40 -58.79 -42.49 89.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.31 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -57.7 -47.05 83.45 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.448 0.468 . . . . 0.0 110.634 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.684 ' HE2' ' HA ' ' A' ' 64' ' ' PHE . 39.7 mtm -58.5 -36.97 74.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.015 0.436 . . . . 0.0 110.652 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 64' ' ' PHE . 59.3 t -61.57 -56.52 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.483 -176.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.38 -43.42 66.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.089 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -63.06 -49.56 74.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.595 -176.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -74.77 -15.28 60.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 111.032 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.623 ' HB2' ' O ' ' A' ' 68' ' ' VAL . 81.1 tttt -67.42 -33.17 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -103.88 -16.61 18.85 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.197 -178.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.496 ' C ' HD22 ' A' ' 74' ' ' ASN . 0.2 OUTLIER -93.65 -53.31 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.139 0.469 . . . . 0.0 111.521 -176.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.675 HD23 HG21 ' B' ' 68' ' ' VAL . 21.2 tp -95.67 126.9 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 0.0 111.325 -172.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.588 ' HB2' ' NE2' ' B' ' 65' ' ' GLN . 4.3 tp10 71.2 -6.49 1.32 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.613 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -83.69 57.27 4.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 122.114 0.959 . . . . 0.0 108.501 172.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -156.12 142.42 18.38 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -61.09 102.59 0.22 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -65.87 -14.71 61.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.472 -173.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 73.92 -5.59 2.0 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.629 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 . . . . . 0 C--O 1.248 1.015 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.764 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.815 0.341 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -127.87 123.81 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.17 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 67.82 19.92 9.47 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 123.723 0.639 . . . . 0.0 111.799 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.1 ttt 57.94 98.07 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 O-C-N 123.759 0.662 . . . . 0.0 111.76 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.12 -18.84 38.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.976 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 61.81 86.94 0.1 Allowed 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.721 0.638 . . . . 0.0 110.597 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 67.12 97.94 0.05 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.675 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -98.74 119.44 37.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.606 174.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' B' ' 33' ' ' SER . 22.4 p90 -109.64 126.86 54.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.42 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -151.51 153.14 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.88 128.05 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.881 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -105.57 -34.51 7.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.761 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -153.07 139.03 18.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.665 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -112.36 133.86 54.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.531 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -95.24 -53.95 3.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.623 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -131.27 99.12 4.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.752 -170.428 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -81.36 97.57 7.77 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.578 HD23 HD12 ' B' ' 16' ' ' LEU . 90.4 mt -67.32 -68.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.076 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p 174.86 -174.95 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.81 0.693 . . . . 0.0 109.211 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 11.8 pt-20 -108.66 139.56 43.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.589 HD22 ' HG3' ' B' ' 22' ' ' GLU . 2.6 p-10 -116.15 156.46 26.43 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.151 0.5 . . . . 0.0 111.066 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.589 ' HG3' HD22 ' B' ' 21' ' ' ASN . 30.3 mt-10 59.01 20.09 7.88 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.558 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 62.16 98.83 0.03 OUTLIER 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.943 0.777 . . . . 0.0 111.451 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 -44.26 1.51 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.199 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -84.0 103.55 13.33 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 117.443 0.621 . . . . 0.0 110.412 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 4.8 m -86.54 138.29 31.84 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.039 -174.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.571 ' HB3' ' NZ ' ' B' ' 27' ' ' LYS . 6.1 ttpm? -128.65 120.67 26.98 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.484 -173.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -142.97 158.42 43.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.8 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.64 HG12 HG12 ' B' ' 43' ' ' ILE . 43.9 mt -104.99 109.97 29.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -131.47 -176.9 4.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 74.6 mtp180 -110.94 116.1 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.53 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -104.94 123.1 58.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 49.7 m -84.81 131.78 34.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.152 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.44 101.04 10.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.173 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 70.23 -73.6 0.09 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.254 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.18 -82.95 1.58 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.576 -170.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 1.036 ' H ' ' HD2' ' B' ' 38' ' ' PRO . . . -132.44 -46.48 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -172.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 1.036 ' HD2' ' H ' ' B' ' 37' ' ' ALA . 6.6 Cg_endo -48.97 112.23 0.61 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 123.083 2.522 . . . . 0.0 113.784 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -106.46 98.52 8.18 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.693 174.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 15.7 tptt -86.26 166.27 15.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.746 -173.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -90.37 129.94 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.515 ' CG ' ' HE ' ' B' ' 44' ' ' ARG . 7.9 t0 -142.37 139.77 31.83 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.461 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.64 HG12 HG12 ' B' ' 29' ' ' ILE . 41.9 mt -95.84 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.515 ' HE ' ' CG ' ' B' ' 42' ' ' ASP . 7.6 mmt180 -113.61 139.68 48.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.186 0.517 . . . . 0.0 112.297 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.414 ' O ' ' HA3' ' B' ' 54' ' ' GLY . . . -111.47 107.46 16.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.828 170.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -107.96 151.29 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.406 0.622 . . . . 0.0 111.433 -174.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p -82.4 151.94 66.49 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.211 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.23 -29.72 25.92 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.502 2.135 . . . . 0.0 111.386 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -81.06 -20.34 41.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.38 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 73.73 -13.93 0.7 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.934 0.893 . . . . 0.0 111.989 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 21.4 p -86.02 -28.13 24.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.518 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -75.72 131.14 39.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 65.3 mtt -75.14 131.98 40.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.847 0.356 . . . . 0.0 110.384 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' B' ' 45' ' ' ALA . . . -106.33 158.17 15.57 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.905 -0.665 . . . . 0.0 111.919 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -94.23 164.41 13.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.753 0.311 . . . . 0.0 110.671 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.403 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -167.91 -179.2 40.37 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.461 HD13 HG22 ' A' ' 43' ' ' ILE . 15.4 tt -147.7 127.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 0.0 110.699 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 7.0 m -86.86 135.81 33.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.568 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 81.2 mt -127.72 140.57 51.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -91.16 162.21 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 174.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -56.86 -38.28 72.5 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.36 -50.65 72.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.23 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -67.37 -35.14 78.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.966 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 75' ' ' LEU . 2.5 t80 -59.38 -50.55 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.408 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.588 ' NE2' ' HB2' ' A' ' 76' ' ' GLU . 6.7 tp-100 -65.82 -30.83 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.775 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.6 m -55.0 -47.87 74.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.643 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 20.7 ptt? -71.94 -37.73 69.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.843 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.678 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 95.5 t -58.67 -57.99 8.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.764 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.59 -46.84 83.53 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 120.744 0.307 . . . . 0.0 111.618 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -41.42 86.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 0.0 111.403 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 68' ' ' VAL . 20.7 m-30 -76.2 -15.05 60.12 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 28.1 mmtm -71.44 -32.43 68.33 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 171.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.21 -41.3 6.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.111 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' B' ' 78' ' ' HIS . 23.4 t-20 -75.35 -61.27 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.817 0.309 . . . . 0.0 111.507 -176.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.502 ' HB2' HG21 ' A' ' 68' ' ' VAL . 5.6 mp -88.69 162.72 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 69.16 -67.45 0.22 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.928 0.768 . . . . 0.0 110.044 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -51.38 -28.51 12.78 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.737 0.815 . . . . 0.0 111.611 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' B' ' 74' ' ' ASN . 36.0 t-80 -73.66 -30.68 63.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -175.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -136.02 -2.68 2.3 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -170.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -63.99 -42.39 97.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.336 -0.228 . . . . 0.0 111.508 -173.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 59.29 -97.09 0.07 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.471 0.482 . . . . 0.0 111.405 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.839 -0.601 . . . . 0.0 109.717 -178.356 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HG2' ' H ' ' A' ' 4' ' ' MET . 87.8 tttt -157.66 119.35 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.208 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -89.85 35.57 0.84 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.093 0.473 . . . . 0.0 110.05 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.443 ' H ' ' HG2' ' A' ' 2' ' ' LYS . 63.3 mtt 62.5 -167.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.597 -176.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.1 -166.02 2.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 67.53 13.29 9.25 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.583 0.552 . . . . 0.0 111.349 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 69.95 131.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.535 0.734 . . . . 0.0 112.095 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.451 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 19.1 p -101.15 123.82 45.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.454 173.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -109.1 120.29 42.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.468 0.652 . . . . 0.0 111.042 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.724 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 2.8 mp0 -105.14 111.58 24.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.16 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -88.62 103.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -99.46 -32.64 11.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.271 -169.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 10.7 tp10 -143.82 141.14 30.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.625 0.25 . . . . 0.0 111.095 -172.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -107.26 99.04 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.65 -66.88 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 111.743 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.9 OUTLIER -134.38 114.63 13.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -171.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.6 m -87.24 107.12 18.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 173.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 16' ' ' LEU . 91.7 mt -71.43 -74.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.631 -177.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -165.66 162.5 18.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.912 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -105.57 141.78 36.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.227 0.536 . . . . 0.0 109.967 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -105.97 131.24 53.51 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.021 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 60.88 21.0 11.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.235 174.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.42 95.62 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.502 0.501 . . . . 0.0 111.222 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.47 -43.36 1.34 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.355 -0.926 . . . . 0.0 113.034 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.48 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 61.2 m95 -84.37 91.82 7.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.084 0.442 . . . . 0.0 110.056 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.499 ' HB ' ' HD1' ' A' ' 46' ' ' TRP . 17.1 m -85.89 137.19 32.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.385 -172.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -121.78 116.03 23.74 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.164 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.14 163.9 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.391 0.615 . . . . 0.0 111.435 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.574 HG12 HG12 ' A' ' 43' ' ' ILE . 58.3 mt -107.08 117.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.211 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -133.11 179.73 6.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 22.1 mtp85 -113.99 119.49 37.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 -177.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.79 131.4 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.963 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 23.3 t -95.84 146.93 24.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 174.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -123.21 112.27 17.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.791 0.329 . . . . 0.0 110.713 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.451 ' ND2' ' H ' ' A' ' 8' ' ' THR . 8.4 m120 64.53 22.96 12.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.514 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.8 81.15 0.77 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.198 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -152.84 175.08 3.16 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.2 Cg_exo -50.22 126.36 17.17 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 121.87 1.713 . . . . 0.0 111.199 171.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 112.41 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.038 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -82.71 172.0 13.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.656 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 30.2 m-85 -101.98 114.86 29.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.137 -173.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -117.3 133.87 55.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.096 0.474 . . . . 0.0 110.605 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.574 HG12 HG12 ' A' ' 29' ' ' ILE . 39.4 mt -113.65 104.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.545 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.595 ' HB3' ' HA3' ' A' ' 56' ' ' GLY . 18.7 ptp180 -141.9 176.6 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 112.005 -175.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 26' ' ' THR . . . -116.19 152.88 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.499 ' HD1' ' HB ' ' A' ' 26' ' ' THR . 66.7 m95 -108.13 130.96 55.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 m -87.38 129.24 52.1 Favored Pre-proline 0 C--O 1.234 0.25 0 O-C-N 123.665 0.603 . . . . 0.0 110.515 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.47 -63.48 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.463 2.109 . . . . 0.0 112.428 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -105.37 101.84 11.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.037 0.446 . . . . 0.0 110.893 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 67.8 117.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.689 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.6 m -61.08 102.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.568 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.38 -48.89 9.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.044 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.8 ttt -163.36 115.29 1.47 Allowed 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.219 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.93 74.49 2.5 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.593 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -83.37 134.98 34.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.365 0.603 . . . . 0.0 111.484 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.595 ' HA3' ' HB3' ' A' ' 44' ' ' ARG . . . -179.06 153.53 12.57 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.593 ' HA ' ' HD3' ' B' ' 55' ' ' LYS . 13.9 tt -120.47 132.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.219 0.533 . . . . 0.0 111.118 -174.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -95.76 130.29 42.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.435 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.26 147.56 41.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.0 p -82.71 173.68 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.189 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 7.9 t30 -60.11 -43.48 95.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 110.729 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -56.49 -53.92 51.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.623 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.89 -44.54 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' A' ' 67' ' ' MET . 18.0 t80 -64.76 -48.34 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.265 -176.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -65.33 -37.69 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -54.26 -53.21 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.436 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 20.6 ptt? -64.28 -37.47 87.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.657 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.65 HG21 HD23 ' B' ' 75' ' ' LEU . 56.0 t -58.83 -50.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.044 -178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 12.7 t70 -74.98 -40.81 60.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.043 0.449 . . . . 0.0 110.972 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB1' HD22 ' B' ' 16' ' ' LEU . . . -61.87 -44.46 96.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.277 -178.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' B' ' 29' ' ' ILE . 52.6 m-85 -78.16 -32.31 50.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.701 ' HB2' ' HG3' ' B' ' 72' ' ' LYS . 0.0 OUTLIER -65.89 -24.78 66.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.345 179.607 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.68 11.49 72.0 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.971 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.463 ' C ' HD22 ' A' ' 74' ' ' ASN . 0.2 OUTLIER -140.06 -50.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.528 0.664 . . . . 0.0 111.516 -176.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 35.7 tp -120.11 21.18 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.591 0.234 . . . . 0.0 111.585 -171.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.706 ' HB2' ' HE2' ' B' ' 72' ' ' LYS . 12.7 pt-20 -60.95 -43.26 98.95 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.017 -0.427 . . . . 0.0 110.765 -178.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 76' ' ' GLU . 71.8 t60 -177.06 54.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -63.96 129.88 41.81 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -132.83 -69.64 0.56 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.606 0.241 . . . . 0.0 111.518 -173.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -128.24 126.24 40.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -131.23 132.04 44.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.716 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.3 p80 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.465 178.185 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 3' ' ' LYS . 24.3 ttmm 66.13 -86.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.792 0.682 . . . . 0.0 110.583 -175.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' B' ' 2' ' ' LYS . 42.2 tttp 169.26 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.082 0.553 . . . . 0.0 110.066 -178.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.6 mmm -76.66 134.78 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.166 -176.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.47 73.8 0.98 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.047 173.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 61.26 -168.49 0.18 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.253 -171.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.482 ' HA ' ' OD1' ' B' ' 35' ' ' ASN . 93.2 m-85 -99.13 111.41 23.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.167 0.508 . . . . 0.0 110.574 173.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p -108.18 126.28 52.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.46 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.504 ' HA ' ' O ' ' B' ' 33' ' ' SER . 32.9 p90 -106.82 123.43 48.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -117.37 145.86 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.734 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.0 mt -88.8 99.11 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -86.25 -32.22 21.25 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.27 137.6 16.63 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.153 -172.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -105.45 108.23 19.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.484 HD12 HG22 ' B' ' 29' ' ' ILE . 94.5 mt -72.94 -71.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.398 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.414 HD22 ' HB1' ' A' ' 70' ' ' ALA . 2.7 pp -165.33 150.03 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.695 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.63 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 56.1 m -91.28 134.66 34.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.514 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.44 -53.33 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -170.45 157.99 6.24 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.473 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 3.3 tm-20 -127.05 103.29 7.37 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 171.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -116.8 176.74 4.98 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.355 0.597 . . . . 0.0 112.427 -171.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 70.69 -80.22 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.397 175.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -158.06 22.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.76 -0.08 5.75 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.961 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -75.06 96.81 3.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.872 0.844 . . . . 0.0 109.708 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' B' ' 45' ' ' ALA . 5.4 m -92.81 138.81 31.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.908 -172.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.43 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -119.33 120.77 37.91 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 174.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.63 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 11.5 pt-20 -155.56 171.42 19.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 111.162 178.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.747 HG12 HG12 ' B' ' 43' ' ' ILE . 47.5 mt -113.56 132.83 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.537 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.516 HD22 ' H ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -141.75 175.16 9.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -174.424 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 45.0 mtp85 -111.6 105.73 14.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.701 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.97 126.54 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.504 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 63.0 p -97.36 147.38 24.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.457 ' H ' ' HB3' ' B' ' 37' ' ' ALA . 95.8 m-85 -115.99 108.05 15.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.797 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.482 ' OD1' ' HA ' ' B' ' 7' ' ' PHE . 4.2 m-20 62.86 -80.59 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.084 0.865 . . . . 0.0 111.839 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.84 17.07 3.94 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.897 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' H ' ' B' ' 34' ' ' PHE . . . -71.08 154.23 94.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 C-N-CA 121.986 0.114 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 14.01 0.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.973 2.449 . . . . 0.0 113.215 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . 70.31 132.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.703 0.801 . . . . 0.0 112.314 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 33.4 mmtp -102.22 172.27 6.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.21 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -107.16 114.34 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.497 ' OD1' ' HB2' ' B' ' 44' ' ' ARG . 3.1 p30 -129.21 148.86 51.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 -178.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.747 HG12 HG12 ' B' ' 29' ' ' ILE . 33.2 mt -97.38 106.32 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.727 175.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.497 ' HB2' ' OD1' ' B' ' 42' ' ' ASP . 6.8 ttm180 -123.86 165.92 16.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.049 0.452 . . . . 0.0 111.333 -170.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' B' ' 26' ' ' THR . . . -117.87 132.76 56.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.691 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -108.85 152.52 24.79 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.804 ' HB3' ' HE2' ' B' ' 52' ' ' LYS . 26.5 t -165.06 154.21 11.22 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.66 -173.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -82.58 -8.03 11.51 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.241 2.628 . . . . 0.0 111.584 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' B' ' 50' ' ' HIS . 22.2 t70 -85.23 -168.69 2.32 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.982 -177.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.417 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 32.4 m170 -118.14 -170.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.435 ' C ' ' H ' ' B' ' 53' ' ' MET . 69.7 p 57.84 -73.22 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.478 1.111 . . . . 0.0 112.673 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.804 ' HE2' ' HB3' ' B' ' 47' ' ' SER . 29.0 mmtp 75.64 -32.38 0.21 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.87 0.868 . . . . 0.0 111.561 175.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . 0.435 ' H ' ' C ' ' B' ' 51' ' ' THR . 52.3 ttp 71.91 -33.67 0.28 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.198 0.999 . . . . 0.0 110.345 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' B' ' 52' ' ' LYS . . . 70.8 59.28 5.24 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.736 174.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.593 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 14.9 ptpt -82.46 4.03 25.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.784 0.326 . . . . 0.0 110.847 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 135.08 49.53 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.7 tt -120.39 137.47 54.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.101 0.477 . . . . 0.0 111.089 -170.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.423 HG23 ' HB3' ' B' ' 42' ' ' ASP . 12.8 m -93.59 143.89 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.455 -174.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.29 148.05 46.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.792 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.1 p -85.84 169.25 13.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.63 -44.28 81.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 0.0 111.144 -176.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -64.32 -47.76 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.636 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.12 -43.69 97.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.305 0.574 . . . . 0.0 110.351 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.53 ' O ' ' HG2' ' B' ' 67' ' ' MET . 23.3 t80 -60.4 -48.25 82.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -55.68 -44.02 76.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.81 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.51 ' HA ' ' OD2' ' B' ' 69' ' ' ASP . 23.4 m -61.73 -42.91 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.238 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 12.9 ptt? -65.37 -33.12 75.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.01 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.508 HG21 HD23 ' A' ' 75' ' ' LEU . 85.8 t -67.32 -50.51 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.51 ' OD2' ' HA ' ' B' ' 66' ' ' THR . 1.9 p30 -75.0 -38.42 61.61 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.767 -173.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.628 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -69.68 -40.77 76.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.418 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.41 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 9.9 m-85 -71.24 -30.96 66.96 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.896 177.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.706 ' HE2' ' HB2' ' A' ' 76' ' ' GLU . 6.3 ttmt -58.97 -37.74 77.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.175 0.512 . . . . 0.0 110.112 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.56 18.49 57.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -133.44 -77.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.05 0.425 . . . . 0.0 111.056 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.65 HD23 HG21 ' A' ' 68' ' ' VAL . 54.0 tp -72.33 121.16 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.755 -175.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 71.51 -72.0 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 O-C-N 124.206 0.941 . . . . 0.0 111.224 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 47.82 35.31 4.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.909 0.883 . . . . 0.0 111.608 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 64.91 91.25 0.08 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.29 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 54.3 t60 72.01 96.18 0.07 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.172 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -44.22 -64.27 0.71 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.861 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -135.06 148.22 49.81 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.723 -0.656 . . . . 0.0 110.903 -178.213 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.662 0.268 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.19 116.09 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.505 -173.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.468 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 8.7 mtmp? 69.93 7.29 6.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.353 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.5 ttt -87.11 -53.2 5.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.172 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.35 88.78 2.89 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.994 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -96.84 -5.47 38.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.245 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 40.0 p90 -82.47 130.5 35.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.997 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -118.76 130.3 55.72 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.165 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.453 ' HA ' ' O ' ' A' ' 33' ' ' SER . 25.6 p90 -120.02 119.86 34.64 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.069 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 33' ' ' SER . 1.0 OUTLIER -129.52 153.37 48.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.421 -176.121 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.5 mt -96.39 91.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.237 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -77.54 -45.0 26.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.583 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -139.26 138.3 36.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.345 0.593 . . . . 0.0 111.922 -173.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -94.36 142.42 27.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.615 171.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.562 HD12 HG22 ' A' ' 29' ' ' ILE . 95.6 mt -87.02 -54.35 4.38 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 172.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.1 pt? -166.29 135.26 3.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.983 173.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.544 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 41.0 m -83.75 119.71 25.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.68 -77.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.659 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -165.0 166.91 18.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.134 0.492 . . . . 0.0 110.328 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 33.5 tt0 -92.24 146.29 23.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.312 177.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -112.43 158.46 19.82 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.5 mp0 -51.96 150.66 4.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.74 0.65 . . . . 0.0 112.39 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 1.5 mptm? 74.19 5.7 4.68 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.296 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 60.61 1.66 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.043 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -134.67 109.15 8.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 5.4 m -85.42 138.21 32.41 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -125.14 125.77 44.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.947 0.403 . . . . 0.0 110.056 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.544 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 21.1 pt-20 -148.74 172.53 14.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.957 -175.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.562 HG22 HD12 ' A' ' 15' ' ' LEU . 52.8 mt -112.95 123.49 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.545 ' H ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -136.25 175.08 9.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.251 -171.278 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -114.74 124.77 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.592 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.08 130.12 61.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.453 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.537 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 46.1 m -95.05 144.59 25.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.166 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.11 98.21 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.573 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.458 ' OD1' ' HA ' ' A' ' 7' ' ' PHE . 17.6 m120 54.73 25.48 6.56 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.325 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -170.42 174.61 44.42 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.783 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -70.22 -47.43 20.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 75.2 Cg_exo -48.7 104.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.948 2.432 . . . . 0.0 112.965 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB2' ' OG ' ' A' ' 33' ' ' SER . . . -104.6 121.46 43.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.787 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -97.35 174.58 6.63 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.502 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.517 ' HE2' ' HA ' ' A' ' 61' ' ' ASN . 24.4 m-85 -81.71 135.49 35.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.407 -167.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -144.36 134.78 24.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.44 HG22 HD13 ' B' ' 57' ' ' ILE . 56.4 mt -111.6 118.0 56.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ttp-105 -147.68 150.2 33.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.229 0.538 . . . . 0.0 111.745 -171.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.89 132.98 54.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.335 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -156.84 154.49 29.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.583 0.23 . . . . 0.0 111.147 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.903 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . 19.5 t -175.86 -58.9 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.13 175.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.903 ' HD3' ' HB3' ' A' ' 47' ' ' SER . 16.3 Cg_exo -71.5 157.36 56.44 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 122.046 1.831 . . . . 0.0 111.701 173.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.47 -29.08 3.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.457 -174.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -49.74 -78.9 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.75 0.656 . . . . 0.0 112.474 -169.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.0 m -152.47 79.47 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.182 0.515 . . . . 0.0 110.386 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -173.32 104.15 0.13 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.468 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.2 mtm -99.38 107.79 20.13 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.487 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.38 155.37 53.27 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.4 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -72.17 131.68 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.159 0.504 . . . . 0.0 111.091 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.85 150.27 21.6 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.6 127.71 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.365 0.602 . . . . 0.0 110.844 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.9 m -97.03 132.66 42.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.35 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.24 146.4 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.974 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.588 ' HB2' ' OE1' ' A' ' 63' ' ' GLU . 14.5 m -86.0 168.99 13.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.517 ' HA ' ' HE2' ' A' ' 41' ' ' PHE . 25.0 p-10 -55.33 -41.43 72.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.089 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.91 -58.56 7.46 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.588 ' OE1' ' HB2' ' A' ' 60' ' ' SER . 1.8 mp0 -60.09 -43.94 95.17 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.494 ' O ' ' HG2' ' A' ' 67' ' ' MET . 24.0 t80 -64.7 -45.07 88.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.4 -176.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.464 ' OE1' ' HB3' ' B' ' 76' ' ' GLU . 6.2 tp-100 -62.68 -45.01 94.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.248 175.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.7 m -58.53 -47.48 84.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.573 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 11.4 ptt? -61.92 -37.37 84.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.329 . . . . 0.0 110.177 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.736 HG21 HD22 ' B' ' 75' ' ' LEU . 29.2 t -65.17 -40.69 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.731 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.94 -50.96 72.08 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.325 0.583 . . . . 0.0 109.744 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.37 94.48 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.431 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.439 ' HZ ' HG21 ' B' ' 29' ' ' ILE . 14.7 m-85 -73.7 -26.14 60.57 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 17.0 pttm -85.55 -4.94 59.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.652 173.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.92 -12.63 55.17 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.503 -0.772 . . . . 0.0 113.002 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -144.34 -171.27 3.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 117.555 0.677 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' CD2' HG21 ' B' ' 68' ' ' VAL . 32.3 tp 69.57 -63.97 0.36 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.674 0.789 . . . . 0.0 111.985 175.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.6 80.01 2.59 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.939 0.876 . . . . 0.0 109.384 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -141.24 18.43 2.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.464 -1.244 . . . . 0.0 108.838 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -79.72 20.42 0.59 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.871 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -64.46 -25.58 68.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.259 173.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -105.14 95.98 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.559 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -86.67 121.55 29.34 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 . . . . . 0 C--N 1.316 -0.889 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.907 -176.38 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.467 0.175 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -71.92 117.58 13.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -95.73 147.71 23.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.3 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 49.1 ttm -86.68 123.03 31.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.103 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.2 50.32 1.83 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.176 0.512 . . . . 0.0 111.244 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.4 113.58 22.29 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 176.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -138.75 -62.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.97 -175.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -127.4 140.4 52.2 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.826 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.463 ' HB2' ' CG1' ' B' ' 32' ' ' VAL . 38.5 p90 -125.29 145.7 49.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.812 -178.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -130.85 143.86 51.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.909 0.385 . . . . 0.0 110.571 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -79.57 103.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.624 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 63.3 mm-40 -72.01 -43.7 64.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.456 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -147.05 114.42 6.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.442 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.51 HD12 HG22 ' B' ' 29' ' ' ILE . 96.0 mt -75.11 -63.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.455 -174.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 67' ' ' MET . 75.5 mt -143.99 143.84 31.4 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.533 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 17.0 m -106.38 102.53 11.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 166.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.533 HD11 HD11 ' B' ' 29' ' ' ILE . 68.4 mt -81.48 -58.33 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -169.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -157.75 165.17 36.06 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.741 -0.784 . . . . 0.0 112.946 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.588 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 0.2 OUTLIER -132.9 129.71 38.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 164.481 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.488 ' HB3' ' HB2' ' B' ' 25' ' ' TRP . 28.5 t-20 -95.09 124.54 39.19 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.939 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.457 ' HG2' ' OD1' ' B' ' 21' ' ' ASN . 12.7 mm-40 54.21 34.92 21.37 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 124.005 0.816 . . . . 0.0 110.014 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.7 tttp 42.36 73.34 0.14 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.238 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.553 ' CA ' ' HG3' ' B' ' 48' ' ' PRO . . . -179.6 -60.53 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.198 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.488 ' HB2' ' HB3' ' B' ' 21' ' ' ASN . 81.0 m95 -82.85 96.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.982 0.42 . . . . 0.0 109.924 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.588 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 75.7 p -86.59 168.74 13.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.475 -175.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 45' ' ' ALA . 8.0 ttpm? -146.83 113.72 6.12 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 5.3 mp0 -124.05 166.49 15.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.149 -173.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.533 HD11 HD11 ' B' ' 18' ' ' LEU . 62.0 mt -127.61 133.36 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.079 176.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.501 HD22 ' N ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -157.48 161.15 38.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -176.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.57 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 60.8 mtm180 -98.19 125.93 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.435 174.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' B' ' 9' ' ' PHE . 47.1 t -117.75 135.73 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.259 -174.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.3 p -103.14 139.43 38.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.806 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -111.83 107.28 16.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 62.13 -78.81 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.828 0.705 . . . . 0.0 111.495 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.2 35.93 1.13 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.31 153.26 41.28 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 147.66 55.82 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.041 2.494 . . . . 0.0 112.331 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -63.73 119.68 10.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.708 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -105.63 168.49 9.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.741 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.558 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 75.7 m-85 -96.3 130.29 43.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -119.07 120.07 36.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.103 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.508 HD13 HG23 ' B' ' 29' ' ' ILE . 18.8 mm -106.23 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -146.02 144.95 30.4 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.171 -168.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' B' ' 27' ' ' LYS . . . -100.72 148.63 24.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.969 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -125.23 145.08 50.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.2 p -89.32 160.13 43.13 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.453 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.553 ' HG3' ' CA ' ' B' ' 24' ' ' GLY . 36.5 Cg_exo -60.4 -38.4 74.64 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.494 2.129 . . . . 0.0 111.046 177.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.02 137.54 53.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.78 175.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -77.89 0.53 23.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -167.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 41.1 p -72.73 -28.35 62.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.564 0.62 . . . . 0.0 110.975 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -86.5 -19.69 29.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.356 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 23.4 mmt 62.33 -176.7 0.14 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.193 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.46 178.06 23.46 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.301 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -127.84 154.6 45.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.912 0.356 . . . . 0.0 110.538 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.74 179.39 40.62 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.648 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 43' ' ' ILE . 19.7 tt -139.42 137.11 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.058 0.456 . . . . 0.0 110.817 -178.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 19.4 m -93.02 131.57 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.55 140.13 45.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.073 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.8 m -74.72 159.29 32.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.201 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.558 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 9.9 m120 -60.08 -38.62 83.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -177.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' B' ' 62' ' ' GLU . 30.8 mp0 -70.16 -46.97 63.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.459 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.93 -38.69 86.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.311 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.415 ' O ' ' HG2' ' B' ' 67' ' ' MET . 36.8 t80 -63.92 -46.25 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.426 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -58.7 -40.78 84.64 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 109.818 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.5 m -58.67 -50.73 72.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.643 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.618 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.4 ptt? -64.54 -39.79 94.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.657 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' B' ' 72' ' ' LYS . 42.6 t -61.52 -43.41 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.23 -176.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.61 ' HA ' ' HG2' ' B' ' 72' ' ' LYS . 36.8 t70 -66.48 -35.55 80.56 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.063 0.459 . . . . 0.0 110.659 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.88 74.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.417 ' HB3' HG22 ' A' ' 68' ' ' VAL . 20.6 m-85 -81.39 -32.56 32.77 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.663 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.61 ' HG2' ' HA ' ' B' ' 69' ' ' ASP . 9.5 ptmm? -72.43 -15.3 61.83 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 172.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.53 37.5 1.62 Allowed Glycine 0 CA--C 1.522 0.512 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.707 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 76.89 96.98 0.07 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.849 0.86 . . . . 0.0 112.518 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.736 HD22 HG21 ' A' ' 68' ' ' VAL . 16.6 tp -107.02 -48.9 3.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.451 172.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.823 ' HG2' ' H ' ' B' ' 78' ' ' HIS . 0.0 OUTLIER -65.7 -27.0 68.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.332 -175.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' B' ' 76' ' ' GLU . 53.4 m80 68.99 6.24 5.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.948 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.823 ' H ' ' HG2' ' B' ' 76' ' ' GLU . 99.1 m-70 -127.88 57.41 1.54 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.787 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -62.75 118.83 8.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.026 177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -124.58 9.68 8.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.623 -175.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -162.03 136.55 6.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.301 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.761 -0.637 . . . . 0.0 109.839 178.152 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' A' ' 5' ' ' ALA . 17.7 pttm -77.19 156.46 31.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 111.152 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -77.04 65.89 2.76 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.768 -171.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 ptt? 40.3 38.4 0.54 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.262 1.025 . . . . 0.0 112.517 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.424 ' O ' ' HD2' ' A' ' 2' ' ' LYS . . . -147.62 -167.3 2.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.725 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -82.22 -168.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.925 0.393 . . . . 0.0 111.257 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -89.89 154.19 20.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.118 0.485 . . . . 0.0 111.513 -171.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -123.02 135.98 54.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.486 171.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -130.72 141.22 50.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.894 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -143.5 144.23 31.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.19 123.93 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.264 0.554 . . . . 0.0 110.502 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.07 -56.92 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -146.27 121.07 9.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.663 -171.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -95.54 129.62 42.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 172.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 mt -94.83 -34.93 12.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.85 -169.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.8 OUTLIER -152.45 116.51 4.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -171.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.634 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 52.2 m -92.13 116.76 29.22 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 16' ' ' LEU . 95.3 mt -88.87 -68.78 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.966 -171.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -152.32 174.76 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.501 0.667 . . . . 0.0 112.671 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -124.76 114.41 19.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.446 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.564 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 15.9 m120 -96.18 177.81 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.495 -172.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 1.6 mp0 -47.33 140.05 5.87 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.702 -1.136 . . . . 0.0 112.118 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 tptp 73.24 7.2 5.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.531 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.92 27.68 25.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.364 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.0 m0 -88.19 105.89 17.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.7 m -85.84 138.21 32.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.899 0.381 . . . . 0.0 110.079 -174.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HE3' ' OD1' ' A' ' 21' ' ' ASN . 37.4 ttmt -118.51 120.3 37.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.801 -175.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.634 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 15.2 pt-20 -157.8 169.23 25.08 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.415 0.626 . . . . 0.0 111.514 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.545 HG12 HG23 ' A' ' 43' ' ' ILE . 67.4 mt -109.84 124.61 66.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.336 -175.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 14' ' ' HIS . 7.2 p30 -143.57 174.57 10.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.997 0.427 . . . . 0.0 111.436 -174.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 69.3 mtp180 -114.71 123.4 49.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.184 178.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -108.53 132.98 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 t -92.98 125.84 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.48 98.59 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.588 -178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 65.52 -82.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.982 0.801 . . . . 0.0 110.819 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.18 66.95 0.4 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.09 159.09 57.23 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.81 129.76 36.89 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.623 2.215 . . . . 0.0 111.844 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 31' ' ' ARG . . . -56.68 108.77 0.53 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.421 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -81.7 148.96 28.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.113 -175.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -76.89 128.76 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.236 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 44' ' ' ARG . 10.1 t70 -137.12 123.4 20.59 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.958 0.409 . . . . 0.0 110.582 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.723 HG22 HD13 ' B' ' 57' ' ' ILE . 55.6 mt -100.86 105.18 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 42' ' ' ASP . 13.4 ptp180 -139.31 156.35 47.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 112.26 -170.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.86 121.18 40.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.228 -0.897 . . . . 0.0 108.918 168.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 51.7 p-90 -108.03 173.26 6.4 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.735 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.662 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 17.3 p -141.95 170.32 9.32 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.562 -170.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.662 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 60.8 Cg_endo -75.35 -11.86 20.85 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 121.997 1.798 . . . . 0.0 112.697 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -119.53 -30.84 4.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 73.96 4.5 4.64 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.666 0.604 . . . . 0.0 110.041 -174.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 m -75.57 83.73 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.315 0.579 . . . . 0.0 110.485 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HE3' ' HA2' ' A' ' 54' ' ' GLY . 54.3 pttt 174.04 -179.34 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.731 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 56.7 mtt -85.71 -20.07 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.035 0.445 . . . . 0.0 110.241 175.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 55' ' ' LYS . . . 121.82 -63.79 0.51 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.537 173.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 54' ' ' GLY . 21.6 mmtp 74.48 78.2 0.12 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.992 0.901 . . . . 0.0 109.301 -167.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.56 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -175.72 170.63 43.64 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.593 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.8 tt -145.76 141.02 21.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 117.273 0.537 . . . . 0.0 111.258 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.494 ' O ' ' HE2' ' B' ' 27' ' ' LYS . 6.1 m -90.18 135.36 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.94 153.53 35.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.152 0.501 . . . . 0.0 111.048 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -85.05 162.89 19.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.036 174.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -57.15 -42.95 81.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.198 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -59.74 -47.38 85.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.094 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HB3' HD13 ' B' ' 18' ' ' LEU . 38.6 mt-10 -64.63 -43.98 91.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.807 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.573 ' HD2' HD21 ' B' ' 75' ' ' LEU . 7.0 t80 -57.76 -51.39 69.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.65 -176.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -62.14 -38.2 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.6 m -59.41 -46.65 88.11 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.62 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 23.2 ptt? -67.7 -34.62 77.26 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.396 -177.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 64' ' ' PHE . 90.8 t -57.97 -50.17 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.803 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.43 -40.84 89.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.254 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.72 96.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.481 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -88.1 -10.08 51.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.121 0.486 . . . . 0.0 110.892 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 77.9 tttt -66.27 -33.44 75.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 171.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.97 -43.52 2.6 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.874 177.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 34.4 m-80 -99.95 154.48 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -177.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.471 HD23 HG21 ' B' ' 68' ' ' VAL . 39.2 tp 73.99 -39.62 0.43 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.188 0.595 . . . . 0.0 111.559 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.05 97.58 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.49 0.662 . . . . 0.0 109.26 176.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -118.46 12.36 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.662 -173.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -94.69 80.56 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.396 0.617 . . . . 0.0 110.876 -174.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -128.96 -49.38 1.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.238 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 143.53 32.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.144 176.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -89.4 -22.76 22.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.5 p80 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.239 175.266 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.792 0.329 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -140.52 108.52 5.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.38 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -93.86 -69.04 0.77 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.244 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 13.9 mmt -135.02 -32.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.79 -141.91 0.78 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.505 0.503 . . . . 0.0 109.783 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -153.79 176.93 11.56 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -70.18 100.65 1.71 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.238 0.542 . . . . 0.0 110.111 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m -98.0 118.72 35.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.192 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -105.89 119.22 38.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.143 0.497 . . . . 0.0 110.002 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -100.27 127.16 46.61 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.5 mt -81.5 103.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -75.92 -66.6 0.77 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.558 -174.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.49 ' HB3' HH11 ' B' ' 31' ' ' ARG . 37.2 tt0 -151.56 131.82 13.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.964 -173.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -81.03 116.01 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.523 HD12 HG22 ' B' ' 29' ' ' ILE . 41.1 mt -70.45 -54.86 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.347 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -165.44 153.63 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.654 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.444 ' HA ' ' CB ' ' B' ' 28' ' ' GLU . 21.7 m -98.8 136.43 38.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.819 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 63' ' ' GLU . 87.7 mt -92.31 -69.64 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.736 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.6 p -170.56 -177.37 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 12.6 pt-20 -114.75 136.12 53.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.562 0.696 . . . . 0.0 110.202 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' B' ' 25' ' ' TRP . 8.9 t30 -94.97 141.94 28.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.658 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 59.28 -91.27 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.141 0 O-C-N 124.283 0.99 . . . . 0.0 109.704 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -158.76 110.06 2.13 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 173.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.62 -20.14 46.54 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.508 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.438 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 50.1 m95 -76.56 81.23 3.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 117.814 0.807 . . . . 0.0 109.63 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 18.1 m -85.07 137.47 33.03 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.224 0.535 . . . . 0.0 110.761 -169.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HE2' ' O ' ' A' ' 58' ' ' THR . 2.8 ttmp? -115.19 121.65 43.62 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.47 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' B' ' 17' ' ' THR . 0.1 OUTLIER -144.7 171.58 14.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.595 176.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.523 HG22 HD12 ' B' ' 15' ' ' LEU . 37.7 mt -119.35 117.21 53.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.19 159.37 33.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.225 0.535 . . . . 0.0 110.707 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.49 HH11 ' HB3' ' B' ' 13' ' ' GLU . 13.4 ttm105 -93.2 119.21 32.14 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.09 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.6 t -110.97 135.2 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.912 0.386 . . . . 0.0 110.716 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -103.67 106.6 17.16 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -88.58 119.62 29.21 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.306 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 72.26 -62.1 0.47 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.135 0.897 . . . . 0.0 112.61 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.45 -147.61 8.55 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.854 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.713 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -79.92 -37.18 1.09 Allowed Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 10.0 Cg_endo -51.14 104.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.501 2.134 . . . . 0.0 112.822 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.417 ' CB ' ' HD3' ' B' ' 31' ' ' ARG . . . -88.84 142.45 27.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.668 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -119.72 176.97 5.13 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.532 ' O ' ' HB2' ' B' ' 59' ' ' LEU . 29.8 m-85 -122.29 113.8 19.92 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -122.44 134.51 54.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.236 0.541 . . . . 0.0 111.06 -171.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.508 HG12 HG12 ' B' ' 29' ' ' ILE . 56.0 mt -91.19 114.43 28.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.366 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -123.5 148.9 45.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.374 0.607 . . . . 0.0 112.005 -173.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.97 127.07 51.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.048 172.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -108.25 124.62 50.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.042 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.3 p -77.72 152.85 80.71 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.112 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.88 -22.82 48.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.23 1.953 . . . . 0.0 111.709 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -158.49 176.74 12.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -77.37 60.84 2.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.609 0.719 . . . . 0.0 110.288 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -87.97 -63.89 1.23 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.259 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -121.17 -85.93 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -158.17 -177.85 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.25 -76.83 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 62.98 -161.73 0.29 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.086 0.554 . . . . 0.0 112.059 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.32 -140.47 7.13 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.723 HD13 HG22 ' A' ' 43' ' ' ILE . 15.6 tt -141.82 135.6 29.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -89.75 139.27 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.26 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' B' ' 41' ' ' PHE . 90.4 mt -135.51 131.81 36.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.127 0.489 . . . . 0.0 110.795 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.0 p -91.63 179.43 5.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.118 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -56.18 -52.88 62.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.629 -173.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.09 -44.72 91.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.286 -176.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.32 -44.45 96.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.251 0.548 . . . . 0.0 110.44 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.475 ' O ' HG23 ' B' ' 68' ' ' VAL . 9.3 t80 -69.56 -45.45 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.873 -176.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -43.06 86.77 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 177.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.1 m -58.03 -40.38 80.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.438 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.47 ' HB3' ' O ' ' B' ' 64' ' ' PHE . 13.7 tmm? -57.77 -41.41 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.625 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 64' ' ' PHE . 90.6 t -60.47 -63.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.249 -175.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.45 -36.02 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.557 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -63.52 -48.06 79.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.488 ' HB3' HG22 ' A' ' 68' ' ' VAL . 12.8 m-85 -76.0 -30.61 58.61 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.22 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 76.7 tttt -50.2 -39.67 44.91 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.817 0.698 . . . . 0.0 110.629 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.1 41.98 2.05 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.331 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -141.77 -40.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.774 0.321 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.573 HD21 ' HD2' ' A' ' 64' ' ' PHE . 5.5 mp -101.25 -172.46 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.597 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' B' ' 75' ' ' LEU . 33.3 tt0 70.3 143.09 0.05 Allowed 'General case' 0 N--CA 1.462 0.143 0 O-C-N 124.173 0.921 . . . . 0.0 110.181 -176.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -71.44 83.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 172.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.471 ' O ' ' HB3' ' B' ' 79' ' ' HIS . 13.6 t60 -114.35 -1.24 13.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.368 -169.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' B' ' 78' ' ' HIS . 42.3 t-80 68.09 98.04 0.06 Allowed 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -62.48 164.9 6.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.522 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -51.66 121.0 5.77 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.804 -168.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.232 -0.89 . . . . 0.0 108.669 175.599 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.892 0.377 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -153.21 116.67 4.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.179 0.514 . . . . 0.0 110.704 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -137.66 -8.62 1.65 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.825 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.2 mtt -86.12 -12.04 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.73 -176.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.34 26.47 15.82 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.688 0.395 . . . . 0.0 111.758 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.45 163.62 27.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.88 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.571 ' HD2' HD21 ' A' ' 35' ' ' ASN . 93.8 m-85 -73.78 -178.98 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.961 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 p -87.84 116.21 25.83 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.492 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.622 ' HA ' ' O ' ' A' ' 33' ' ' SER . 48.5 p90 -147.41 131.06 16.87 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -153.81 144.36 22.42 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.68 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.562 HG12 HG22 ' A' ' 32' ' ' VAL . 62.7 mt -75.92 105.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.115 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -78.56 -50.5 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.994 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -133.2 146.9 51.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.54 113.69 26.68 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 29' ' ' ILE . 95.2 mt -68.56 -70.7 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.549 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.89 137.76 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 176.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.553 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 11.4 m -73.43 137.42 44.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.637 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 79.7 mt -93.67 -80.26 0.39 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.776 0.322 . . . . 0.0 110.569 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' B' ' 63' ' ' GLU . 59.1 m -162.45 156.72 21.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.756 -175.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 0.7 OUTLIER -101.24 145.12 29.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.296 0.569 . . . . 0.0 110.764 176.35 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -114.89 145.13 42.52 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.25 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HB3' ' HD1' ' A' ' 25' ' ' TRP . 24.2 tt0 62.97 17.84 10.4 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.011 0.434 . . . . 0.0 111.38 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt 57.17 90.39 0.04 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA3' ' HG3' ' A' ' 48' ' ' PRO . . . 131.4 -46.94 1.04 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.148 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.5 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 83.7 m95 -77.11 91.63 3.71 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 15.7 m -86.18 137.8 32.37 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.013 0.435 . . . . 0.0 110.544 -173.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HG3' HD11 ' B' ' 57' ' ' ILE . 14.9 ttmm -104.61 116.72 32.55 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.553 ' HG3' ' HA ' ' A' ' 17' ' ' THR . 36.1 tt0 -137.7 152.23 49.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.964 -177.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 15' ' ' LEU . 53.1 mt -109.82 113.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.174 0.512 . . . . 0.0 109.946 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -121.12 176.44 5.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.308 -176.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -120.79 124.71 45.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.245 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.562 HG22 HG12 ' A' ' 11' ' ' ILE . 46.0 t -115.25 131.11 68.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.617 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.622 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 27.2 t -83.71 133.07 34.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -122.53 97.62 5.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.735 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.571 HD21 ' HD2' ' A' ' 7' ' ' PHE . 5.3 m-20 51.47 85.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.742 0.651 . . . . 0.0 112.484 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.6 -107.73 0.64 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.836 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.983 ' H ' ' HD2' ' A' ' 38' ' ' PRO . . . -148.61 -42.48 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.983 ' HD2' ' H ' ' A' ' 37' ' ' ALA . 9.3 Cg_endo -52.63 105.71 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.721 2.28 . . . . 0.0 112.693 178.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.28 98.59 11.04 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.736 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -74.74 163.22 27.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -87.08 132.96 33.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.812 -173.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' OD2' ' HD2' ' A' ' 44' ' ' ARG . 15.1 t70 -130.89 109.93 10.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.272 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.515 HG23 HG12 ' A' ' 29' ' ' ILE . 53.0 mt -91.0 105.03 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' HD2' ' OD2' ' A' ' 42' ' ' ASP . 17.4 ttt85 -127.03 156.35 41.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.345 0.593 . . . . 0.0 112.385 -163.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.465 ' HB3' ' H ' ' A' ' 55' ' ' LYS . . . -104.83 137.38 42.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.654 171.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.5 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 29.9 m95 -107.85 136.38 47.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.141 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -88.76 150.02 45.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.358 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.402 ' HG3' ' HA3' ' A' ' 24' ' ' GLY . 72.9 Cg_exo -50.43 -56.33 3.2 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.431 2.087 . . . . 0.0 111.954 173.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -162.41 86.77 0.6 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.839 0.352 . . . . 0.0 110.952 176.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 56.93 32.24 21.17 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.993 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 m -62.6 -66.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.519 -173.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -131.45 -81.18 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.4 ttt -175.94 -49.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.38 -143.56 16.73 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.526 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 46.6 mmtm -141.1 167.55 21.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 167.77 157.53 11.03 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.707 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.56 HD13 HG22 ' B' ' 43' ' ' ILE . 16.7 tt -154.54 131.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.938 0.399 . . . . 0.0 110.443 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 p -88.0 134.67 33.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.479 HD12 ' HD1' ' A' ' 64' ' ' PHE . 79.1 mt -118.8 137.3 53.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.151 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.521 ' HB2' ' HG3' ' A' ' 63' ' ' GLU . 6.3 m -73.91 161.55 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -53.74 -49.12 68.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.404 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.81 -46.64 87.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.521 ' HG3' ' HB2' ' A' ' 60' ' ' SER . 32.2 mt-10 -64.46 -42.77 95.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.725 -176.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.599 ' O ' ' HG3' ' A' ' 67' ' ' MET . 43.2 t80 -63.76 -45.5 89.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.138 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -44.22 90.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.652 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 85.6 m -53.91 -43.96 70.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.032 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -73.6 -29.71 62.55 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.259 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.694 HG21 HD23 ' B' ' 75' ' ' LEU . 35.3 t -63.61 -46.12 95.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.724 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -74.56 -32.83 62.54 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.259 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.27 77.94 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.497 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' HB3' HG13 ' B' ' 68' ' ' VAL . 26.2 m-85 -75.05 -17.02 60.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.898 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 79.0 tttt -65.15 -33.33 75.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.529 0.68 . . . . 0.0 109.286 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.47 -27.49 43.14 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.293 -0.867 . . . . 0.0 113.7 -176.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -128.37 171.48 11.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.753 0.777 . . . . 0.0 111.887 -173.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HG21 ' B' ' 68' ' ' VAL . 25.6 tp 72.36 -8.83 1.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.742 0.817 . . . . 0.0 112.069 176.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -77.9 112.18 14.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.59 0.709 . . . . 0.0 111.076 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -154.86 31.41 0.41 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.053 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -59.74 105.67 0.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.266 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -128.66 177.88 6.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.611 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -81.77 -49.74 10.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -141.15 165.56 27.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.789 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.544 -0.741 . . . . 0.0 109.205 174.163 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.546 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 27.0 ttt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.604 0.24 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' B' ' 1' ' ' MET . 28.6 tttp 170.49 -38.32 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.829 178.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -154.57 -47.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.461 -175.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 25.4 ttt -79.37 -70.55 0.5 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.662 0.268 . . . . 0.0 111.059 -174.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' B' ' 1' ' ' MET . . . -104.12 101.38 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -112.73 121.64 45.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 -172.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -138.63 157.93 45.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.783 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p -103.87 141.8 35.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.46 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -124.61 120.42 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.137 0.494 . . . . 0.0 110.13 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.97 114.43 26.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.001 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.424 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -74.19 104.03 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -89.03 -65.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.362 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' B' ' 31' ' ' ARG . 38.5 tt0 -128.52 147.34 50.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.118 -170.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -105.13 113.1 26.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.54 HD12 HG22 ' B' ' 29' ' ' ILE . 97.2 mt -70.35 -57.97 4.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.5 138.56 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.547 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.938 HG23 ' HG2' ' B' ' 28' ' ' GLU . 91.6 m -86.15 114.44 23.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.497 HD21 ' HB3' ' A' ' 67' ' ' MET . 94.5 mt -67.34 -71.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -179.27 161.01 1.06 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.86 -174.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -103.17 140.11 37.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.234 0.54 . . . . 0.0 110.168 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -92.57 144.43 25.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.85 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 58.19 -92.29 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.115 0 O-C-N 124.168 0.917 . . . . 0.0 109.593 -172.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -172.09 84.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -34.91 1.8 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.972 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -72.62 83.21 1.14 Allowed 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.524 ' HB ' ' CE2' ' B' ' 46' ' ' TRP . 4.3 m -86.12 137.26 32.8 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.136 -171.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' B' ' 44' ' ' ARG . 7.3 ttpm? -128.29 117.28 21.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.104 -171.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.938 ' HG2' HG23 ' B' ' 17' ' ' THR . 24.6 mt-10 -134.35 163.81 28.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.67 -172.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.54 HG22 HD12 ' B' ' 15' ' ' LEU . 51.4 mt -117.74 116.02 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -123.34 -176.16 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.544 . . . . 0.0 111.23 -170.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 33.9 mtm180 -126.82 101.93 6.81 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.192 168.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' B' ' 11' ' ' ILE . 76.3 t -106.97 135.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.05 0.452 . . . . 0.0 111.132 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -90.54 136.24 33.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.285 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.61 121.6 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.829 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 63.33 -82.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.894 0.746 . . . . 0.0 111.292 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.04 10.85 1.38 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.2 154.64 51.97 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.37 158.08 32.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.583 2.188 . . . . 0.0 112.31 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' B' ' 31' ' ' ARG . . . -61.42 118.98 7.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.058 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 69.8 mmtt -101.55 161.57 13.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.383 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.443 ' HD1' HD11 ' B' ' 15' ' ' LEU . 8.6 m-85 -85.07 114.79 22.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 -173.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -116.51 141.19 48.5 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.189 0.519 . . . . 0.0 111.067 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.56 HG22 HD13 ' A' ' 57' ' ' ILE . 55.7 mt -104.83 104.6 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 45.0 ttt180 -114.81 128.76 56.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.64 -168.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.28 108.58 14.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' B' ' 26' ' ' THR . 31.5 p-90 -108.39 133.87 51.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.214 0.53 . . . . 0.0 111.365 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -77.26 157.32 80.91 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.535 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -57.39 113.66 1.59 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.609 2.206 . . . . 0.0 112.089 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 59.65 -90.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.564 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -155.22 85.13 1.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.75 0.786 . . . . 0.0 111.074 173.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.481 HG22 ' HD2' ' B' ' 52' ' ' LYS . 32.9 m -109.19 -51.05 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.169 176.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.481 ' HD2' HG22 ' B' ' 51' ' ' THR . 13.7 mptt -124.58 178.17 5.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.713 173.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 66.8 mtt -80.35 -26.0 38.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.966 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' B' ' 55' ' ' LYS . . . 85.31 -62.7 4.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.58 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 54' ' ' GLY . 87.5 mttt 73.42 -172.98 0.14 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.244 0.618 . . . . 0.0 111.704 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.552 ' HA2' ' HB ' ' A' ' 57' ' ' ILE . . . 153.56 -162.96 30.57 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -176.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.477 HG22 HG22 ' A' ' 57' ' ' ILE . 12.1 tt -151.55 142.93 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 117.099 0.449 . . . . 0.0 111.041 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.2 m -106.0 142.21 36.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mp -120.69 148.31 44.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.488 ' HB3' ' OE1' ' B' ' 63' ' ' GLU . 33.0 t -96.86 -173.39 2.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.972 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -64.06 -49.59 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -66.34 -57.09 8.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 2.5 pm0 -61.54 -35.45 77.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.744 -176.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.73 -45.84 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.836 0.351 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -32.65 74.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.0 m -63.31 -50.29 70.62 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.178 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -67.45 -37.74 83.43 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.821 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.55 HG13 ' HB3' ' A' ' 71' ' ' PHE . 42.1 t -60.77 -55.6 23.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.181 -176.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -52.76 -46.79 67.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 123.319 0.387 . . . . 0.0 110.715 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.82 -58.93 6.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.4 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.427 ' HB3' HG13 ' A' ' 68' ' ' VAL . 34.4 m-85 -67.38 -30.25 69.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.169 -177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.898 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 44.5 tttm -59.54 -28.06 66.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.244 0.545 . . . . 0.0 110.175 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.07 81.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.626 -0.797 . . . . 0.0 114.73 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -158.37 -178.08 7.02 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.915 1.357 . . . . 0.0 112.814 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 68' ' ' VAL . 50.4 tp 71.42 -57.83 0.6 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.568 1.147 . . . . 0.0 113.245 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.93 149.74 35.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.802 0.334 . . . . 0.0 110.209 -177.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -146.44 163.34 35.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.212 0.53 . . . . 0.0 111.754 -172.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -141.82 37.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.998 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -140.57 115.16 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.117 0.484 . . . . 0.0 111.835 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.75 117.72 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.295 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -97.76 159.32 15.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.003 0.43 . . . . 0.0 111.41 -174.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 75.8 m80 . . . . . 0 C--O 1.244 0.797 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.456 175.439 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.983 0.42 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -142.79 116.78 9.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.632 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -153.82 91.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.37 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 mmt -102.29 115.52 30.74 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.47 -165.83 2.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.177 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -88.12 151.64 22.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.552 -178.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 17.6 m-85 -86.55 136.07 33.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.319 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m -72.82 117.18 14.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 45.4 p90 -120.44 138.78 53.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.181 0.515 . . . . 0.0 111.215 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.4 145.95 41.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.954 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.74 122.43 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.189 0.518 . . . . 0.0 110.958 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.506 ' HG3' ' HB2' ' A' ' 39' ' ' ALA . 14.2 mm-40 -88.59 -50.51 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.863 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.518 ' OE1' ' HD3' ' A' ' 31' ' ' ARG . 51.4 tt0 -146.35 144.73 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.787 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -96.91 116.34 29.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.569 HD12 HG22 ' A' ' 29' ' ' ILE . 92.8 mt -71.54 -55.54 7.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.075 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' B' ' 67' ' ' MET . 1.0 OUTLIER -169.05 144.45 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.203 175.018 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -84.52 110.09 18.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.471 HD12 ' HG2' ' A' ' 27' ' ' LYS . 88.8 mt -62.13 -75.02 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.453 ' HB2' ' HG2' ' B' ' 63' ' ' GLU . 66.6 m -165.83 155.63 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 35.1 tt0 -100.2 132.05 45.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.624 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.73 123.21 44.61 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.502 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 41.67 42.58 2.12 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.687 1.242 . . . . 0.0 113.547 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 63.05 106.04 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.841 0.713 . . . . 0.0 111.731 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.89 -48.54 0.93 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.951 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.456 ' HZ2' ' HD2' ' A' ' 52' ' ' LYS . 71.9 m95 -78.65 79.97 5.04 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 117.134 0.467 . . . . 0.0 110.241 -176.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.501 ' HB ' ' CE2' ' A' ' 46' ' ' TRP . 5.9 m -91.89 137.73 32.13 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.736 -173.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.71 ' HE2' ' HB3' ' B' ' 59' ' ' LEU . 4.2 ttmp? -116.95 125.57 51.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.706 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.7 tt0 -147.98 152.59 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.215 -175.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.569 HG22 HD12 ' A' ' 15' ' ' LEU . 50.4 mt -109.47 123.33 65.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -124.14 161.59 25.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 0.0 111.768 -170.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.642 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 42.5 mtp-105 -99.93 108.62 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 168.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 9' ' ' PHE . 53.0 t -114.12 132.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -173.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 p -89.22 132.39 34.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -113.71 101.09 8.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -173.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 59.2 t30 57.59 30.31 18.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.165 169.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.76 -16.54 23.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.305 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.42 149.48 75.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 157.93 14.91 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.955 2.437 . . . . 0.0 112.802 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.506 ' HB2' ' HG3' ' A' ' 12' ' ' GLU . . . -66.93 106.56 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.071 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 8.8 mtpm? -84.37 162.82 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.738 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' HD1' HD11 ' A' ' 15' ' ' LEU . 44.6 m-85 -91.08 112.91 25.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -137.4 140.22 41.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.968 0.413 . . . . 0.0 110.764 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.516 HG23 HG12 ' A' ' 29' ' ' ILE . 59.6 mt -98.74 130.18 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.113 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -147.07 172.25 14.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.363 0.602 . . . . 0.0 111.497 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.66 135.71 46.01 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.501 ' CE2' ' HB ' ' A' ' 26' ' ' THR . 38.5 p-90 -111.17 131.42 55.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.532 0.682 . . . . 0.0 110.704 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.72 161.43 74.08 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.014 -175.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -67.57 82.89 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.197 1.931 . . . . 0.0 111.258 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.0 t70 61.78 79.0 0.27 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.186 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.9 p80 37.85 40.57 0.29 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.768 1.227 . . . . 0.0 113.918 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 m -94.75 121.46 36.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.765 0.316 . . . . 0.0 111.01 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HD2' ' HZ2' ' A' ' 25' ' ' TRP . 63.0 mttp 69.6 -88.44 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.999 178.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -160.61 164.58 31.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.705 -174.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.7 -74.85 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt 59.66 -160.69 0.28 Allowed 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.102 0.561 . . . . 0.0 112.371 175.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.78 -159.39 31.34 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.481 HD13 HG22 ' B' ' 43' ' ' ILE . 19.2 tt -133.16 134.13 57.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.071 0.462 . . . . 0.0 110.457 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 p -94.45 138.88 31.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.335 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -128.02 147.73 50.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.297 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.63 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 40.1 t -77.99 153.27 32.57 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 170.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.18 -32.64 66.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.26 0.553 . . . . 0.0 110.665 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -73.04 -44.71 60.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.63 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 46.4 mt-10 -63.07 -40.17 96.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.25 0.548 . . . . 0.0 109.866 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.538 ' O ' ' HG3' ' A' ' 67' ' ' MET . 32.3 t80 -59.71 -52.82 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.297 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -58.35 -37.11 74.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.691 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.3 m -57.26 -50.74 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.404 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.538 ' HG3' ' O ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -71.35 -33.13 69.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.734 -178.727 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.538 HG21 HD22 ' B' ' 75' ' ' LEU . 78.0 t -60.43 -51.59 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.98 0.419 . . . . 0.0 110.451 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.96 -43.88 91.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.657 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -68.15 -45.32 73.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.97 -178.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.467 ' CE1' HD23 ' B' ' 16' ' ' LEU . 17.2 m-85 -74.32 -24.55 59.23 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.709 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 48.1 tttm -75.13 -25.94 58.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.46 . . . . 0.0 109.906 174.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.25 -49.9 4.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.137 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' HD22 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -90.17 -167.37 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.875 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 16.8 tp 51.36 -151.87 0.23 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.351 0.407 . . . . 0.0 110.011 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.875 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 18.1 tp10 57.08 26.88 12.56 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.961 0.886 . . . . 0.0 109.425 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -99.13 90.28 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.708 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -80.72 100.56 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -110.85 84.67 1.97 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.377 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.2 m80 54.35 -113.1 0.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.483 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.76 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.614 0.766 . . . . 0.0 111.34 177.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.172 178.733 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.878 0.37 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -95.27 136.55 35.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -102.27 -85.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.766 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.3 mmt 65.75 -41.07 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 0.0 112.751 -176.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.17 134.65 17.36 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' B' ' 6' ' ' GLU . 0.3 OUTLIER -63.54 -63.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.381 0.61 . . . . 0.0 109.487 179.122 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -133.51 98.31 4.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.689 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -94.9 139.41 31.36 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.719 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' B' ' 33' ' ' SER . 39.1 p90 -153.42 142.44 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -143.94 151.25 39.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.415 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.7 mp -75.54 109.68 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 0.8 OUTLIER -80.97 -45.23 16.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.079 -176.365 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.432 ' HB3' ' HD3' ' B' ' 31' ' ' ARG . 39.7 tt0 -161.94 117.9 2.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -89.25 121.8 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 0.0 109.676 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.65 -52.9 4.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.761 -172.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.509 HD12 HD23 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -132.38 102.92 5.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -174.121 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -84.84 94.63 8.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 172.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.509 HD23 HD12 ' B' ' 16' ' ' LEU . 90.7 mt -68.51 -75.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.424 -171.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -171.1 171.65 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.807 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -110.92 139.58 46.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.654 0.74 . . . . 0.0 110.26 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.429 HD21 ' HB2' ' B' ' 27' ' ' LYS . 30.6 m-80 -81.79 164.54 21.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.078 -176.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -45.35 -38.09 5.5 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -81.62 12.2 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.313 . . . . 0.0 111.535 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.72 22.77 65.91 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.696 ' HZ3' ' HA2' ' B' ' 54' ' ' GLY . 9.5 m0 -93.87 127.84 39.83 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 -174.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.23 137.27 32.75 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.051 0.453 . . . . 0.0 110.75 -173.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HB2' HD21 ' B' ' 21' ' ' ASN . 36.1 ttpt -127.83 117.72 22.36 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -146.97 171.99 14.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.754 0.788 . . . . 0.0 112.099 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.518 HG12 HG23 ' B' ' 43' ' ' ILE . 69.2 mt -124.8 126.02 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.493 -1.231 . . . . 0.0 109.653 178.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.401 ' N ' HD22 ' B' ' 30' ' ' ASN . 0.1 OUTLIER -154.1 172.96 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.313 0.578 . . . . 0.0 112.52 -173.122 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' B' ' 40' ' ' LYS . 16.4 mtp180 -100.54 128.76 46.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.87 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 37.0 t -121.03 135.61 60.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.563 ' O ' ' HA ' ' B' ' 9' ' ' PHE . 11.1 p -88.8 121.98 31.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 174.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -109.71 114.34 27.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 p30 44.8 33.67 1.03 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.513 1.125 . . . . 0.0 113.764 173.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.26 -138.28 6.36 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.313 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.651 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -70.48 -46.99 19.05 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.9 Cg_endo -52.35 107.17 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.027 2.485 . . . . 0.0 113.795 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -115.15 105.76 13.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 171.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 11.4 ptmm? -119.77 -179.5 3.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.184 0.516 . . . . 0.0 112.035 -170.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.534 ' HE2' HD21 ' B' ' 59' ' ' LEU . 23.0 t80 -83.61 128.29 34.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.57 -178.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.436 ' OD2' HG22 ' B' ' 58' ' ' THR . 4.6 m-20 -142.92 137.26 29.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.395 . . . . 0.0 110.928 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.518 HG23 HG12 ' B' ' 29' ' ' ILE . 15.7 mt -103.31 128.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -141.36 150.46 42.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.45 -171.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.89 109.46 12.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.863 167.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 7.5 p-90 -116.79 160.85 20.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.087 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 m -70.39 152.9 95.42 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.174 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.99 -61.15 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.181 2.587 . . . . 0.0 112.977 -177.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -134.4 -53.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.523 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -74.77 110.19 8.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.345 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 6.2 p -62.87 112.35 2.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.439 0.637 . . . . 0.0 112.538 -174.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -116.19 12.36 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.134 174.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 23.5 mmt 73.7 -78.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.244 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . 0.696 ' HA2' ' HZ3' ' B' ' 25' ' ' TRP . . . 101.96 -129.89 10.05 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.604 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -155.61 176.24 12.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 110.673 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.5 -166.81 35.5 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 20.9 tt -155.24 138.02 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 117.063 0.432 . . . . 0.0 110.507 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.436 HG22 ' OD2' ' B' ' 42' ' ' ASP . 68.9 p -102.78 126.32 49.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.017 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.71 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 1.6 pt? -146.03 168.75 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.54 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 p -88.96 166.19 14.08 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.2 -24.07 62.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 110.625 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -60.11 -51.46 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.93 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 19' ' ' SER . 37.1 mt-10 -64.06 -33.95 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.461 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' B' ' 67' ' ' MET . 7.1 t80 -59.63 -59.81 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.881 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -30.86 64.61 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.648 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -60.7 -50.48 73.31 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.347 177.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.573 ' HA ' HD11 ' A' ' 16' ' ' LEU . 15.3 ptt? -67.8 -37.96 82.68 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.922 0.391 . . . . 0.0 110.198 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.644 HG21 HD23 ' A' ' 75' ' ' LEU . 75.3 t -62.01 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.882 -177.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.821 ' HA ' ' HE2' ' B' ' 72' ' ' LYS . 23.9 t70 -57.33 -49.68 75.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.202 176.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.422 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -62.58 -44.93 95.08 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.424 ' CZ ' ' HZ ' ' A' ' 64' ' ' PHE . 22.8 m-85 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 -178.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.821 ' HE2' ' HA ' ' B' ' 69' ' ' ASP . 27.9 ttpt -61.95 -31.24 71.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.211 0.529 . . . . 0.0 110.075 173.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.5 -1.16 81.29 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.884 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.544 ' HB3' HD12 ' B' ' 75' ' ' LEU . 5.1 m-20 -127.12 -178.37 4.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.809 0.305 . . . . 0.0 110.946 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' B' ' 74' ' ' ASN . 6.7 mp 47.03 -145.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.656 0.598 . . . . 0.0 111.788 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.699 ' HG3' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER 74.24 179.38 0.2 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.16 173.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 55.1 p-80 -52.9 117.88 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.642 0.734 . . . . 0.0 111.959 -175.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -120.29 124.38 45.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.198 171.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -79.87 14.34 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -168.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -81.08 -4.93 56.89 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 166.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.53 145.8 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.633 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.467 -0.777 . . . . 0.0 109.578 178.262 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -80.11 152.94 29.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.526 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -68.3 121.02 15.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.646 -175.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.9 mmm -169.28 126.38 0.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.014 177.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.24 78.47 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.154 0.502 . . . . 0.0 110.717 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -132.65 26.03 4.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.445 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -79.66 -142.27 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -131.76 161.12 33.64 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.704 -0.622 . . . . 0.0 111.001 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -108.11 126.22 52.51 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.75 139.58 52.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.048 0.451 . . . . 0.0 111.307 -172.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 11' ' ' ILE . 3.6 mp -87.99 97.2 6.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 174.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -87.43 -29.87 21.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.224 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 31' ' ' ARG . 9.2 tp10 -125.29 141.01 52.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.982 0.42 . . . . 0.0 111.303 -175.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -118.42 121.57 40.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.403 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD12 HG22 ' A' ' 29' ' ' ILE . 44.7 mt -81.28 -56.11 4.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' B' ' 70' ' ' ALA . 1.1 pt? -173.34 154.21 2.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.366 172.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.57 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 32.1 m -99.06 112.56 24.66 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 170.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' B' ' 63' ' ' GLU . 37.9 mt -62.0 -70.08 0.21 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.471 -174.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.422 ' OG ' ' HG3' ' B' ' 63' ' ' GLU . 53.1 p -171.94 176.85 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -94.9 131.72 40.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.46 153.99 32.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.87 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 63.06 11.53 5.26 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.199 174.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mttp 58.83 78.75 0.24 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.384 0.611 . . . . 0.0 110.554 -178.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.5 -46.55 0.92 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.227 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.637 ' HZ3' ' HA2' ' A' ' 54' ' ' GLY . 32.3 m95 -85.59 121.46 28.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.577 0.227 . . . . 0.0 110.535 -175.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -87.16 136.98 32.72 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.949 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.799 ' HD2' ' HG2' ' B' ' 63' ' ' GLU . 39.8 ttmt -106.07 118.08 35.7 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.57 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 10.8 pt-20 -156.69 170.56 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.089 0.471 . . . . 0.0 111.552 -173.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.619 HG22 HD12 ' A' ' 15' ' ' LEU . 17.9 mt -128.11 132.23 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.875 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 9.3 p30 -144.37 -178.38 5.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.301 -176.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 13' ' ' GLU . 35.0 mtm180 -117.34 123.28 46.11 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 175.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 11' ' ' ILE . 38.8 t -103.11 132.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -177.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.6 t -100.44 127.05 46.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.538 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.86 104.07 14.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.146 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.22 23.27 12.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.143 175.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.97 75.42 1.28 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.067 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -156.93 166.42 16.68 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 88.6 Cg_exo -47.8 123.29 8.21 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.53 2.153 . . . . 0.0 111.772 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.82 125.37 29.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.404 -173.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -99.16 150.11 22.39 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 1.7 p90 -83.33 144.47 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.157 0.503 . . . . 0.0 111.081 -173.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.571 ' OD1' ' HG3' ' A' ' 44' ' ' ARG . 7.5 t70 -138.74 135.25 34.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.361 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.556 HG23 HG12 ' A' ' 29' ' ' ILE . 43.6 mt -112.99 111.39 35.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.219 -177.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.873 ' HG2' ' HA3' ' A' ' 56' ' ' GLY . 63.9 mtt180 -146.34 175.46 10.52 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.715 0.769 . . . . 0.0 112.026 -178.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.36 127.05 53.22 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.684 165.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.73 144.31 33.56 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.442 0.639 . . . . 0.0 111.149 -170.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 p -73.78 134.26 78.69 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.249 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.23 -51.3 1.15 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.614 2.21 . . . . 0.0 109.911 170.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -88.39 107.15 18.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 169.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -86.05 25.52 1.13 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -162.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.7 p -77.23 -20.35 55.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.634 0.731 . . . . 0.0 109.07 169.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -93.86 149.61 21.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.058 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.8 mtt -75.78 -73.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.637 ' HA2' ' HZ3' ' A' ' 25' ' ' TRP . . . 123.81 124.26 2.88 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 -174.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -96.02 148.39 22.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 0.0 111.537 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.873 ' HA3' ' HG2' ' A' ' 44' ' ' ARG . . . 175.12 -147.14 8.77 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.394 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.639 ' HB ' ' CA ' ' B' ' 56' ' ' GLY . 19.1 tt -146.96 134.07 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.022 0.439 . . . . 0.0 111.521 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.0 m -97.22 129.97 44.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -127.59 168.93 14.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 0.0 111.212 -170.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.83 146.0 31.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.019 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' O ' ' HB3' ' A' ' 64' ' ' PHE . 24.2 p-10 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.468 -172.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.83 -51.21 43.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.661 0.267 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.762 ' HB3' ' HB3' ' B' ' 18' ' ' LEU . 2.9 mp0 -63.54 -25.37 68.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.161 0.505 . . . . 0.0 110.446 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.535 ' CE2' HD22 ' B' ' 75' ' ' LEU . 2.5 t80 -59.25 -52.09 67.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.938 173.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.417 ' HA ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -61.62 -33.42 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.496 177.636 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.0 m -58.98 -53.57 56.92 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.481 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -72.12 -35.81 69.23 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.05 -175.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.662 HG21 HD23 ' B' ' 75' ' ' LEU . 48.7 t -58.66 -41.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.036 0.446 . . . . 0.0 110.781 177.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.29 -42.24 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.055 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.61 -49.35 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.584 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.605 ' HB3' HG22 ' B' ' 68' ' ' VAL . 35.8 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.379 -177.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.677 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . 6.1 ttpm? -60.92 -34.38 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.072 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.67 -48.72 79.62 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.967 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -174.22 123.64 0.31 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.016 0.436 . . . . 0.0 111.716 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD22 HG21 ' B' ' 68' ' ' VAL . 27.3 tp -133.65 -62.11 0.79 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -87.62 -96.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.353 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -151.31 168.0 26.12 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -112.78 132.96 55.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -115.3 81.04 1.51 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.99 0.424 . . . . 0.0 110.046 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -106.86 -22.64 12.63 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -128.58 173.61 10.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.741 175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.5 t60 . . . . . 0 C--O 1.243 0.76 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttm . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.798 0.333 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -99.41 105.25 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.912 0.386 . . . . 0.0 111.096 -174.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -126.59 -60.52 1.24 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.025 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 63.7 mtt -113.5 110.36 20.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.529 -172.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.85 88.25 7.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 169.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.34 -74.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.994 -173.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.602 ' HD1' ' HB2' ' B' ' 35' ' ' ASN . 83.1 m-85 -129.64 109.49 11.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -72.34 117.69 14.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.929 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -103.87 119.54 39.14 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.235 0.54 . . . . 0.0 110.431 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.29 125.02 50.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -81.67 97.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.502 ' HG3' ' CB ' ' B' ' 39' ' ' ALA . 12.5 mm-40 -64.77 -57.17 9.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.929 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -166.52 152.66 8.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.657 -175.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -99.96 127.31 46.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.478 HD12 HG22 ' B' ' 29' ' ' ILE . 89.7 mt -71.82 -55.24 7.94 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -161.42 144.12 12.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.453 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -86.0 119.25 26.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.517 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.762 ' HB3' ' HB3' ' A' ' 63' ' ' GLU . 79.2 mt -74.4 -57.13 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.919 0.39 . . . . 0.0 110.354 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -161.46 169.4 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.615 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 31.6 tt0 -144.38 104.27 4.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.034 0.445 . . . . 0.0 110.32 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -77.81 123.7 27.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.227 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 61.12 12.12 3.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.181 175.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.59 ' HA ' ' HG2' ' B' ' 20' ' ' GLU . 50.5 tttm 64.0 19.14 11.62 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.78 0.8 . . . . 0.0 110.254 -177.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.69 -42.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.006 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.474 ' HA ' ' O ' ' B' ' 46' ' ' TRP . 46.8 m95 -102.4 91.28 4.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 0.0 110.49 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 3.3 m -86.19 157.07 20.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.089 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -129.94 117.56 20.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.88 156.31 42.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -169.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.523 HG12 HG23 ' B' ' 43' ' ' ILE . 56.0 mt -111.61 122.13 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.282 175.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.577 HD22 ' H ' ' B' ' 30' ' ' ASN . 0.1 OUTLIER -137.15 167.32 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.743 0.306 . . . . 0.0 111.135 -172.675 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -108.76 124.5 50.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -121.67 129.58 75.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -96.11 123.8 39.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -105.8 117.39 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.944 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.602 ' HB2' ' HD1' ' B' ' 7' ' ' PHE . 23.2 t-20 72.81 -28.29 0.19 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 172.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.17 -6.57 1.54 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.611 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.66 147.5 86.9 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -48.7 131.8 24.87 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 0.0 112.123 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.502 ' CB ' ' HG3' ' B' ' 12' ' ' GLU . . . -57.01 123.42 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.534 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.563 ' HG3' ' HA ' ' B' ' 60' ' ' SER . 13.7 mptt -89.33 176.2 7.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.727 175.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -103.9 114.0 27.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' B' ' 58' ' ' THR . 28.4 t70 -110.81 129.66 55.79 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.947 0.403 . . . . 0.0 111.085 -174.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.523 HG23 HG12 ' B' ' 29' ' ' ILE . 22.8 mt -110.85 108.7 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.537 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.754 ' HB2' ' HA ' ' B' ' 55' ' ' LYS . 30.4 ptt-85 -154.0 -171.65 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.212 -177.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.98 161.91 15.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.705 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . 0.615 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 98.5 m95 -107.99 147.55 30.93 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 172.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m -143.0 164.98 28.7 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.05 98.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.31 2.006 . . . . 0.0 111.376 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' B' ' 50' ' ' HIS . 10.4 t70 -65.34 152.51 43.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.541 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.524 ' HB2' ' O ' ' B' ' 49' ' ' ASP . 30.2 m80 71.79 9.56 6.23 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.551 0.532 . . . . 0.0 110.567 -172.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.519 HG22 ' HG3' ' B' ' 52' ' ' LYS . 91.7 m -142.93 -62.76 0.42 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.206 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.519 ' HG3' HG22 ' B' ' 51' ' ' THR . 95.7 mttt -129.31 149.39 51.12 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.395 -0.19 . . . . 0.0 110.593 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 67.4 mtt -139.4 100.14 3.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.903 0.382 . . . . 0.0 111.227 178.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.46 163.41 34.01 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.754 ' HA ' ' HB2' ' B' ' 44' ' ' ARG . 48.3 pttt -161.26 -172.13 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.389 0.595 . . . . 0.0 111.901 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.639 ' CA ' ' HB ' ' A' ' 57' ' ' ILE . . . -145.99 -102.31 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.077 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.494 ' HB ' ' HA2' ' A' ' 56' ' ' GLY . 20.9 tt -152.65 144.39 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.194 0.521 . . . . 0.0 111.295 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' B' ' 42' ' ' ASP . 5.3 m -95.65 133.89 39.18 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.554 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.561 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 34.8 mt -110.61 142.07 42.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.563 ' HA ' ' HG3' ' B' ' 40' ' ' LYS . 3.6 m -84.31 175.5 9.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -55.61 -39.22 70.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.848 0.356 . . . . 0.0 111.081 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.14 -59.35 4.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.197 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.799 ' HG2' ' HD2' ' A' ' 27' ' ' LYS . 2.0 mp0 -56.06 -42.85 77.29 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 111.098 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.558 ' O ' ' HG3' ' B' ' 67' ' ' MET . 8.9 t80 -64.78 -52.16 58.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.261 -173.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.454 ' OE1' HD23 ' A' ' 75' ' ' LEU . 44.2 tp60 -64.17 -33.49 75.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.061 0.458 . . . . 0.0 110.594 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.9 m -61.17 -46.01 92.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -71.34 -29.08 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -177.573 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.734 HG21 HD22 ' A' ' 75' ' ' LEU . 46.4 t -59.71 -58.99 4.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.935 0.398 . . . . 0.0 111.218 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.494 ' HA ' ' HE3' ' B' ' 72' ' ' LYS . 34.6 t70 -59.47 -43.53 93.21 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.151 0.501 . . . . 0.0 110.973 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.555 ' CB ' HD13 ' A' ' 16' ' ' LEU . . . -63.46 -50.0 71.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.937 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.511 ' HB3' HG13 ' A' ' 68' ' ' VAL . 11.0 m-85 -67.27 -26.23 66.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.535 0.207 . . . . 0.0 111.516 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' B' ' 69' ' ' ASP . 22.2 ttpp -59.14 -39.51 82.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.162 171.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.82 -35.15 7.35 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.389 -0.91 . . . . 0.0 113.267 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.71 -70.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.662 HD23 HG21 ' A' ' 68' ' ' VAL . 53.1 tp -71.67 -62.7 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -170.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.45 -42.69 58.66 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 58.0 t60 71.17 130.61 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.763 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -49.41 130.34 19.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.059 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -77.2 97.69 4.87 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.228 0.537 . . . . 0.0 111.448 -169.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -102.57 -13.79 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.783 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 55.01 167.6 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.975 1.31 . . . . 0.0 113.599 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--O 1.243 0.73 0 CA-C-O 118.356 -0.831 . . . . 0.0 109.866 178.126 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -74.85 72.78 2.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -155.08 11.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.685 172.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.3 ttm -117.75 -84.86 0.65 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.177 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 41.62 73.22 0.14 Allowed 'General case' 0 N--CA 1.466 0.364 0 O-C-N 124.033 0.833 . . . . 0.0 112.091 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 35.9 tt0 -101.2 -70.8 0.73 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.517 ' CD2' ' HG2' ' A' ' 6' ' ' GLU . 81.8 m-85 -136.03 153.65 51.29 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -86.57 149.13 25.16 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 33' ' ' SER . 36.6 p90 -154.59 154.84 33.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.152 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -158.39 146.56 18.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.569 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.555 HG12 HG22 ' A' ' 32' ' ' VAL . 59.2 mt -86.37 109.15 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.776 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.1 pt-20 -81.79 -43.26 18.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 8.5 tp10 -156.92 156.29 32.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.129 0.49 . . . . 0.0 111.562 -174.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -110.45 130.21 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.035 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 29' ' ' ILE . 81.5 mt -72.86 -56.07 5.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.676 0.274 . . . . 0.0 110.545 -176.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' B' ' 67' ' ' MET . 0.9 OUTLIER -158.54 152.21 23.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 177.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 28' ' ' GLU . 19.9 m -89.93 128.21 36.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.55 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -87.23 -54.98 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.802 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -168.14 171.04 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.105 0.478 . . . . 0.0 111.311 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -127.32 129.57 47.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.382 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -104.08 125.14 50.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.773 0.32 . . . . 0.0 111.216 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 58.45 29.96 19.02 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.556 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 7.5 mtpm? 57.25 87.7 0.06 Allowed 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.455 0.472 . . . . 0.0 111.354 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' C ' ' HD3' ' A' ' 48' ' ' PRO . . . 140.36 -57.38 0.6 Allowed Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.424 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -73.49 97.66 2.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 m -96.0 137.73 34.64 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.527 -173.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 45' ' ' ALA . 37.9 ttpt -118.06 115.57 25.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.508 ' HG2' HG23 ' A' ' 17' ' ' THR . 39.4 mt-10 -137.47 169.83 17.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -175.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.563 HG22 HD12 ' A' ' 15' ' ' LEU . 57.9 mt -116.59 115.56 49.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -130.16 -178.49 4.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.899 0.381 . . . . 0.0 111.224 -173.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 31' ' ' ARG . 19.5 mtp180 -118.64 124.9 48.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.749 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.555 HG22 HG12 ' A' ' 11' ' ' ILE . 48.2 t -116.77 131.0 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.504 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.539 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 28.4 m -93.79 112.88 24.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.829 0.347 . . . . 0.0 110.44 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -100.51 132.1 46.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 72.97 -40.62 0.48 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.544 0.738 . . . . 0.0 112.181 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.14 0.03 0.66 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.985 -174.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 159.57 72.35 Favored Pre-proline 0 C--N 1.331 -0.219 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -71.61 54.52 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.166 2.577 . . . . 0.0 112.847 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 33' ' ' SER . . . 67.74 158.14 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.892 0.853 . . . . 0.0 112.972 176.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 11.8 tppt? -127.53 170.14 12.93 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -99.07 119.88 38.54 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.088 0.471 . . . . 0.0 110.806 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.9 122.03 41.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.499 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.55 HG22 HD13 ' B' ' 57' ' ' ILE . 56.6 mt -100.68 107.94 22.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.4 ttm105 -136.42 139.75 42.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.259 0.552 . . . . 0.0 112.444 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 27' ' ' LYS . . . -112.23 109.2 18.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.938 172.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -108.59 146.28 33.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.364 0.602 . . . . 0.0 111.67 -172.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.467 ' OG ' ' HD2' ' A' ' 48' ' ' PRO . 9.4 t -83.04 148.74 57.45 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.617 -178.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.467 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 9.8 Cg_endo -52.16 134.28 49.7 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.12 2.546 . . . . 0.0 112.928 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 67.53 17.47 10.0 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.641 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.9 p80 39.23 67.64 0.43 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.918 0.887 . . . . 0.0 113.147 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.0 m -127.87 -41.33 1.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.008 0.432 . . . . 0.0 110.783 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -84.04 -168.66 2.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 65.4 mtt -70.72 119.36 14.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.01 0.433 . . . . 0.0 111.5 -174.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -105.68 81.83 0.32 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 173.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -72.19 153.4 41.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.893 0.377 . . . . 0.0 111.236 -175.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -176.95 -175.34 44.17 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.833 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.7 tt -143.45 142.95 24.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -98.67 143.24 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.914 0.388 . . . . 0.0 111.362 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.505 HD23 ' HE3' ' B' ' 27' ' ' LYS . 57.6 mt -122.11 134.28 54.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.575 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 22.6 t -71.76 157.81 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.93 -49.02 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.585 0.231 . . . . 0.0 111.394 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.89 -41.55 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.909 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.575 ' HG3' ' HB3' ' A' ' 60' ' ' SER . 41.8 mt-10 -62.58 -44.42 96.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.118 0.485 . . . . 0.0 110.069 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.51 ' O ' ' HG2' ' A' ' 67' ' ' MET . 25.4 t80 -58.81 -50.09 75.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.918 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.435 HE22 ' HG2' ' B' ' 76' ' ' GLU . 54.2 tp60 -59.28 -40.93 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 178.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.3 m -54.18 -51.1 65.42 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.679 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 21.9 ptt? -67.96 -37.33 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.333 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.559 HG21 HD23 ' B' ' 75' ' ' LEU . 40.3 t -59.14 -52.16 63.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.51 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -71.1 -34.41 71.09 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.885 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB1' HD21 ' B' ' 16' ' ' LEU . . . -65.72 -50.86 63.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.974 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.615 ' HB3' HG13 ' B' ' 68' ' ' VAL . 46.2 m-85 -74.9 -17.37 60.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.728 ' HG3' ' HG3' ' B' ' 72' ' ' LYS . 66.2 tttm -65.21 -31.57 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.47 -58.2 3.39 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.041 -0.982 . . . . 0.0 112.864 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -92.72 -178.68 4.93 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.694 -0.298 . . . . 0.0 110.723 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.662 ' HG ' ' H ' ' A' ' 76' ' ' GLU . 15.5 tp 60.6 178.59 0.1 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.639 0.776 . . . . 0.0 111.282 177.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.662 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 3.4 tm-20 71.77 -52.33 0.69 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.099 0.56 . . . . 0.0 111.216 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -120.49 83.57 2.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.592 0.71 . . . . 0.0 109.469 172.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -151.03 10.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.353 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -124.66 97.06 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.64 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -146.29 120.79 9.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.337 0.589 . . . . 0.0 110.469 172.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -75.17 139.43 42.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.525 -175.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.905 179.486 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.623 0.249 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttp 57.26 -103.31 0.18 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.087 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -171.2 129.32 0.73 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -82.7 94.97 7.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.806 0.813 . . . . 0.0 109.499 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.03 128.18 35.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.042 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.77 119.89 22.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.487 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -84.82 168.9 14.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.429 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -81.96 132.55 35.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.139 0.495 . . . . 0.0 111.6 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -136.89 119.8 16.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.857 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.82 141.31 42.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.253 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.459 HG13 HG22 ' B' ' 32' ' ' VAL . 3.4 mp -87.68 115.27 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.1 -23.84 15.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.546 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.02 133.72 22.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -94.98 142.51 27.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.412 HD11 ' HD2' ' B' ' 41' ' ' PHE . 92.7 mt -112.69 -69.09 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.526 HD21 ' HB1' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -134.62 128.66 33.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.993 -170.024 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -98.32 105.13 17.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.483 HD23 HD12 ' B' ' 16' ' ' LEU . 67.9 mt -72.84 -74.4 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.52 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -163.57 160.18 22.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 110.735 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.6 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 64.6 tt0 -99.2 111.48 23.86 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -80.4 126.07 30.72 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 58.64 -160.23 0.27 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -105.52 91.46 3.78 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 121.725 -0.609 . . . . 0.0 110.008 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.17 -38.42 1.47 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.145 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.56 ' HH2' ' HA ' ' B' ' 52' ' ' LYS . 21.5 m95 -94.93 87.07 4.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.272 0.536 . . . . 0.0 111.808 -171.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' B' ' 20' ' ' GLU . 19.5 m -87.58 138.4 31.51 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.455 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.505 ' HE3' HD23 ' A' ' 59' ' ' LEU . 7.1 ttpm? -118.76 124.52 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -151.32 171.28 17.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.122 -171.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.534 HG12 HG12 ' B' ' 43' ' ' ILE . 54.5 mt -121.22 133.87 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.174 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.405 HD22 ' C ' ' B' ' 30' ' ' ASN . 0.3 OUTLIER -149.9 164.01 36.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -178.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -91.85 120.68 32.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.951 0.405 . . . . 0.0 110.667 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.459 HG22 HG13 ' B' ' 11' ' ' ILE . 79.3 t -103.02 121.36 54.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' B' ' 39' ' ' ALA . 1.8 m -87.2 113.81 23.26 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.297 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -91.45 154.98 18.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.959 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -34.12 113.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.284 0.99 . . . . 0.0 112.55 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.28 -81.53 0.33 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.24 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.603 ' N ' ' HD2' ' B' ' 38' ' ' PRO . . . -174.0 -51.8 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' B' ' 37' ' ' ALA . 9.4 Cg_endo -52.29 112.17 0.8 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.948 2.432 . . . . 0.0 113.335 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' B' ' 33' ' ' SER . . . -101.71 106.97 18.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.652 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.14 163.9 13.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.571 ' HE1' ' HA ' ' B' ' 61' ' ' ASN . 16.5 m-85 -83.19 114.14 21.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.535 ' OD1' ' HG2' ' B' ' 44' ' ' ARG . 15.0 t70 -126.48 142.37 51.56 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.945 0.402 . . . . 0.0 111.236 -171.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.534 HG12 HG12 ' B' ' 29' ' ' ILE . 52.8 mt -112.64 122.17 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.403 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.624 ' HD3' ' HA3' ' B' ' 56' ' ' GLY . 16.6 mmt180 -133.6 162.05 32.98 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.304 0.573 . . . . 0.0 111.357 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.49 137.93 45.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.794 169.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -106.51 125.49 51.06 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -127.25 140.34 37.62 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.911 -172.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.49 -52.21 0.05 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.115 1.877 . . . . 0.0 111.268 173.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -170.73 -164.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.468 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 32.5 m170 73.34 77.15 0.14 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.719 0.637 . . . . 0.0 112.338 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 47.8 p 45.37 99.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.56 ' HA ' ' HH2' ' B' ' 25' ' ' TRP . 30.0 mmtp -70.66 99.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.449 0.642 . . . . 0.0 110.518 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 87.6 mtp -107.92 98.49 8.06 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.12 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.85 176.06 21.1 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.574 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -145.73 -170.41 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.815 0.341 . . . . 0.0 110.261 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.624 ' HA3' ' HD3' ' B' ' 44' ' ' ARG . . . -134.63 169.11 23.29 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 43' ' ' ILE . 20.8 tt -146.51 138.5 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 117.121 0.46 . . . . 0.0 110.88 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 8.3 m -101.7 135.74 42.73 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.555 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.49 124.9 46.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.722 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.3 m -76.13 179.39 5.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.571 ' HA ' ' HE1' ' B' ' 41' ' ' PHE . 47.2 t-20 -53.85 -54.3 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 111.129 -174.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' B' ' 62' ' ' GLU . 0.9 OUTLIER -70.42 -36.39 73.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.224 -176.494 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.21 -45.8 83.3 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.247 0.546 . . . . 0.0 110.332 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.45 ' O ' ' HG3' ' B' ' 67' ' ' MET . 54.5 t80 -64.58 -47.1 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -59.16 -36.64 75.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 96.8 m -58.53 -51.09 71.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.273 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' B' ' 64' ' ' PHE . 0.0 OUTLIER -68.88 -36.05 77.62 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.736 -176.599 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 71' ' ' PHE . 54.3 t -62.15 -41.04 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.243 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.02 -45.13 71.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.868 0.366 . . . . 0.0 110.582 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.23 81.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.374 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.506 ' HB3' HG22 ' A' ' 68' ' ' VAL . 23.0 m-85 -84.74 -23.64 29.19 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.102 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.728 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 25.6 ttmt -62.17 -32.9 73.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.45 45.56 1.29 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.185 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -167.06 149.16 6.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.73 0.265 . . . . 0.0 111.087 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.559 HD23 HG21 ' A' ' 68' ' ' VAL . 40.4 tp 75.5 -40.27 0.41 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.435 ' HG2' HE22 ' A' ' 65' ' ' GLN . 1.1 tm-20 -69.41 89.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.281 0.563 . . . . 0.0 111.583 -173.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -150.02 98.87 2.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.393 173.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.19 -46.32 13.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.37 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -134.65 154.61 51.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.596 0.236 . . . . 0.0 110.486 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -108.71 131.27 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -129.13 92.0 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.395 0.617 . . . . 0.0 111.976 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 4.7 p80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.417 -0.802 . . . . 0.0 109.885 175.019 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -101.01 169.77 8.73 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.51 -53.16 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.055 0.455 . . . . 0.0 110.324 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.0 mtp -129.21 130.8 46.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.622 -176.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.3 135.85 35.73 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.32 88.23 4.97 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' HB2' HD21 ' A' ' 35' ' ' ASN . 71.3 m-85 -84.06 -65.31 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.594 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' HA ' ' A' ' 35' ' ' ASN . 3.2 t -112.47 133.94 54.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.773 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -140.66 130.17 24.03 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.58 148.68 47.65 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.121 0.486 . . . . 0.0 111.149 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.0 mt -93.27 122.96 45.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.78 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -88.38 -42.88 11.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.867 0.365 . . . . 0.0 110.507 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.83 152.73 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.002 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.84 141.12 44.64 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -79.73 -61.96 1.83 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.047 0.451 . . . . 0.0 110.576 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 1.2 pt? -159.58 154.61 24.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.651 ' HA ' ' CB ' ' A' ' 28' ' ' GLU . 21.9 m -98.94 138.86 35.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.667 ' HB3' ' HB2' ' B' ' 63' ' ' GLU . 77.8 mt -98.09 -69.42 0.76 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -172.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -155.33 175.05 14.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.789 0.328 . . . . 0.0 111.226 -174.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 13.1 pt-20 -134.17 145.94 49.71 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.68 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.662 ' HB3' ' HB2' ' A' ' 25' ' ' TRP . 67.3 t30 -115.39 143.23 45.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.751 177.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 45.24 26.58 0.27 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.21 1.004 . . . . 0.0 112.765 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 56.94 22.78 7.52 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.826 0.45 . . . . 0.0 111.838 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.63 -32.15 0.26 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.671 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.662 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 11.3 m0 -91.06 97.0 10.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 p -87.8 136.69 32.85 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.701 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HD3' HD11 ' B' ' 57' ' ' ILE . 14.9 ttpp -130.92 127.85 39.32 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.101 -0.375 . . . . 0.0 110.582 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.651 ' CB ' ' HA ' ' A' ' 17' ' ' THR . 17.1 pt-20 -160.55 -174.23 4.36 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.27 -177.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.523 HG12 HG23 ' A' ' 43' ' ' ILE . 42.1 mt -123.29 125.97 72.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.269 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -142.14 169.01 18.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.966 0.412 . . . . 0.0 110.942 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.647 ' HD3' ' HB1' ' A' ' 39' ' ' ALA . 67.2 mtt-85 -89.53 131.48 35.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.28 129.81 74.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.607 ' HB3' ' O ' ' A' ' 36' ' ' GLY . 66.7 m -109.62 119.01 38.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.86 120.08 39.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.696 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.417 ' HA ' HG23 ' A' ' 8' ' ' THR . 9.8 m120 51.86 31.07 7.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.289 0.566 . . . . 0.0 112.196 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.607 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . 167.49 -159.78 33.2 Favored Glycine 0 CA--C 1.503 -0.716 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 33' ' ' SER . . . -133.98 69.43 74.91 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 117.929 0.865 . . . . 0.0 111.995 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 37' ' ' ALA . 1.2 Cg_endo -85.18 -22.12 2.82 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.749 2.299 . . . . 0.0 110.589 168.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.647 ' HB1' ' HD3' ' A' ' 31' ' ' ARG . . . 47.84 63.96 1.82 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 114.581 -1.19 . . . . 0.0 112.234 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -82.28 160.26 22.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -89.21 120.16 30.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -114.67 131.46 56.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.923 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.523 HG23 HG12 ' A' ' 29' ' ' ILE . 39.5 mt -115.3 112.94 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' B' ' 57' ' ' ILE . 16.9 ptp180 -155.8 171.61 19.75 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.251 -177.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.64 143.66 33.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.03 174.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -108.48 125.68 52.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 t -125.22 155.72 70.85 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.333 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.16 109.66 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.214 1.943 . . . . 0.0 111.074 172.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -69.3 88.18 0.45 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.406 -171.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -144.48 -77.44 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.008 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.2 t -111.45 -16.28 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.435 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HD2' ' HZ2' ' A' ' 25' ' ' TRP . 51.8 pttt -135.99 149.25 48.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.888 0.375 . . . . 0.0 110.766 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.1 mtt -133.65 157.85 44.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.496 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.49 141.25 18.79 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.255 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.44 160.82 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' HA2' ' HB ' ' B' ' 57' ' ' ILE . . . -178.33 -179.89 48.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.116 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.1 tt -157.03 135.14 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.01 0.433 . . . . 0.0 110.552 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -88.98 132.62 34.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.065 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' B' ' 27' ' ' LYS . 60.0 mt -114.01 146.03 40.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.8 p -86.93 171.83 10.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -59.17 -40.43 85.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.497 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 1.5 mp0 -58.94 -55.62 32.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.502 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.72 -45.21 90.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.038 -175.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.574 ' O ' ' HG2' ' A' ' 67' ' ' MET . 13.7 t80 -63.43 -47.66 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.819 -175.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -62.19 -39.02 91.32 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.8 m -54.91 -51.08 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.346 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 14.5 ptt? -64.52 -30.75 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.39 -177.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 64' ' ' PHE . 77.6 t -59.63 -51.73 69.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.614 0.245 . . . . 0.0 111.376 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -41.54 86.55 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.185 0.517 . . . . 0.0 110.92 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.643 ' CB ' ' HG ' ' B' ' 16' ' ' LEU . . . -65.22 -49.24 70.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.57 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 74' ' ' ASN . 19.4 m-30 -64.45 -25.79 68.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.613 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HD2' ' OE1' ' B' ' 76' ' ' GLU . 85.5 tttt -59.75 -46.57 88.73 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.49 28.14 6.55 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.154 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.481 ' HB2' ' HA ' ' A' ' 71' ' ' PHE . 3.6 m-80 -137.19 -51.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.602 0.239 . . . . 0.0 111.592 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HG ' ' NE2' ' B' ' 65' ' ' GLN . 49.1 tp -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -167.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -160.42 155.26 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -99.47 -80.46 0.47 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.891 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 58.44 25.57 13.12 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.003 0.43 . . . . 0.0 110.585 177.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 63.45 100.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.211 -173.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -103.32 154.82 18.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -176.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -120.92 -171.59 2.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.1 p80 . . . . . 0 C--O 1.248 0.975 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.937 173.449 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.766 ' HD3' ' HE2' ' B' ' 7' ' ' PHE . 41.8 mtpt -74.15 145.77 44.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.917 0.389 . . . . 0.0 111.07 -172.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.566 ' HG3' ' HG2' ' B' ' 4' ' ' MET . 19.1 ptpt -102.63 -35.26 8.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.322 -174.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.566 ' HG2' ' HG3' ' B' ' 3' ' ' LYS . 25.5 mmt -94.8 15.63 17.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.267 0.556 . . . . 0.0 111.111 -175.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.9 94.46 1.97 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.373 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -81.52 75.01 8.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.024 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.766 ' HE2' ' HD3' ' B' ' 2' ' ' LYS . 84.1 m-85 -58.63 -78.06 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.3 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.7 m -126.31 126.34 43.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.071 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.48 ' HB2' HG11 ' B' ' 32' ' ' VAL . 26.2 p90 -108.03 119.37 39.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.758 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.516 ' HB2' ' OG ' ' B' ' 33' ' ' SER . 14.0 mm-40 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.72 -176.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.45 ' N ' HD12 ' B' ' 11' ' ' ILE . 3.6 mp -80.55 108.71 14.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.647 ' HG3' ' HB2' ' B' ' 39' ' ' ALA . 22.8 mm-40 -85.66 -46.22 10.96 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.528 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -162.82 152.54 15.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.186 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.456 ' HA ' ' HA ' ' B' ' 30' ' ' ASN . 14.3 p80 -107.53 131.65 54.1 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.715 171.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.927 HD23 HG22 ' B' ' 29' ' ' ILE . 2.9 mm? -60.73 -62.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.643 ' HG ' ' CB ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -172.53 153.59 2.9 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.925 175.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.84 HG23 ' HG2' ' B' ' 28' ' ' GLU . 35.3 m -83.31 122.14 28.06 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.479 HD11 HD11 ' B' ' 29' ' ' ILE . 66.5 mt -71.76 -71.46 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.501 0.191 . . . . 0.0 111.008 -176.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -163.06 162.6 25.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -104.26 123.73 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.236 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -95.2 152.96 17.9 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.1 mp0 -53.08 156.39 2.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.481 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' B' ' 22' ' ' GLU . 68.5 mttm 77.37 6.9 2.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.359 -173.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.64 75.22 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.173 174.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.434 ' CZ2' ' HB3' ' B' ' 47' ' ' SER . 33.3 m95 -80.21 102.96 9.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.283 0.563 . . . . 0.0 110.223 -177.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -88.91 137.7 32.08 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.292 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 59' ' ' LEU . 39.2 ttmt -113.36 116.03 29.05 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.84 ' HG2' HG23 ' B' ' 17' ' ' THR . 46.4 mt-10 -131.63 170.13 15.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.877 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.927 HG22 HD23 ' B' ' 15' ' ' LEU . 41.4 mt -131.02 129.3 63.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.242 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.456 ' HA ' ' HA ' ' B' ' 14' ' ' HIS . 0.3 OUTLIER -149.08 169.28 21.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -177.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.448 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 82.4 mtp180 -108.28 121.56 45.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.967 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' B' ' 9' ' ' PHE . 39.5 t -121.99 135.02 63.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 -177.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.516 ' OG ' ' HB2' ' B' ' 10' ' ' GLU . 7.0 p -93.85 135.09 35.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -111.04 101.98 10.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.965 -176.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.5 ' HB3' ' HB2' ' B' ' 7' ' ' PHE . 5.2 p30 41.75 52.11 4.05 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.301 1.001 . . . . 0.0 111.189 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.99 -164.96 13.17 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.386 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.517 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 66.81 165.0 0.12 Allowed Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 122.805 0.442 . . . . 0.0 111.59 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 29.6 Cg_endo -64.31 158.29 49.63 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.109 1.872 . . . . 0.0 111.748 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' B' ' 12' ' ' GLU . . . -69.19 110.62 4.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.041 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' B' ' 31' ' ' ARG . 97.7 mttt -81.1 152.54 27.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.469 ' HZ ' HD11 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -95.73 128.91 43.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.137 -175.639 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -133.57 149.0 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.202 0.525 . . . . 0.0 111.086 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.687 HG23 HG12 ' B' ' 29' ' ' ILE . 19.9 mt -110.9 109.83 29.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 8.6 ptm85 -123.88 161.83 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -166.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' B' ' 55' ' ' LYS . . . -136.76 106.77 6.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.394 175.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . 0.435 ' HE3' ' O ' ' B' ' 47' ' ' SER . 56.6 p-90 -108.24 144.09 36.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.386 0.613 . . . . 0.0 111.949 -174.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.435 ' O ' ' HE3' ' B' ' 46' ' ' TRP . 7.3 p -74.43 157.51 86.26 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.211 177.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.05 -43.59 51.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.771 2.314 . . . . 0.0 111.692 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -106.88 142.1 37.04 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -81.76 16.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.805 0.336 . . . . 0.0 111.347 -174.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.2 m -72.33 -31.75 65.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.324 176.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.47 ' HE2' ' HB3' ' B' ' 52' ' ' LYS . 32.2 mtpt -94.11 166.59 12.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.324 0.583 . . . . 0.0 111.882 -175.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 86.6 mtp -75.51 107.23 7.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.021 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.45 147.64 42.57 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.006 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' B' ' 45' ' ' ALA . 34.4 mmtp -95.44 166.67 11.75 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.12 163.78 12.41 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.973 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 44' ' ' ARG . 10.9 tt -133.38 134.15 57.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -100.68 132.04 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.846 0.355 . . . . 0.0 110.65 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.452 ' HB2' ' CD2' ' B' ' 41' ' ' PHE . 4.7 mp -126.5 168.11 14.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.907 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -94.76 172.57 8.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.985 0.421 . . . . 0.0 110.575 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -73.46 -33.9 65.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.876 -173.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.48 -58.7 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.467 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 12.5 pt-20 -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.421 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.614 ' O ' HG23 ' B' ' 68' ' ' VAL . 2.1 t80 -56.36 -52.01 66.17 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.635 HE21 ' HA ' ' B' ' 65' ' ' GLN . 0.0 OUTLIER -65.69 -37.21 85.83 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 178.064 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.433 ' HB ' ' HA ' ' B' ' 63' ' ' GLU . 79.4 m -52.97 -50.03 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.266 176.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.442 ' HA ' HD11 ' A' ' 16' ' ' LEU . 13.6 ptt? -74.47 -38.44 62.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.174 -176.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 64' ' ' PHE . 84.3 t -53.68 -48.5 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.558 0.218 . . . . 0.0 110.418 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.95 -43.95 91.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.153 0.502 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.35 72.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -89.8 -0.84 57.8 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.968 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 68' ' ' VAL . 1.3 mmpm? -75.29 -30.09 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 165.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.57 -51.36 3.69 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.38 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' B' ' 75' ' ' LEU . 64.3 t30 -97.88 144.41 27.48 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.466 ' HB3' ' H ' ' B' ' 76' ' ' GLU . 5.1 mp 67.56 -161.46 0.22 Allowed 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.017 0.527 . . . . 0.0 110.128 -172.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.553 ' OE1' ' HD2' ' A' ' 72' ' ' LYS . 31.4 tt0 72.35 -61.91 0.48 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.897 0.748 . . . . 0.0 110.286 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -99.18 107.54 19.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.724 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.11 173.04 11.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.252 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -90.93 94.92 9.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.711 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -135.94 -67.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.41 0.624 . . . . 0.0 109.507 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -173.5 114.29 0.23 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.56 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.316 -175.789 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -95.9 103.13 15.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 172.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -91.81 137.98 31.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.104 -171.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ttt -90.0 -36.4 14.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.187 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.81 91.68 7.57 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.896 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -73.88 -58.29 3.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.978 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -76.8 113.66 14.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.656 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.5 m -97.21 117.27 31.04 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.749 -176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -105.05 119.93 40.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 33' ' ' SER . 8.6 pt-20 -108.0 119.99 41.04 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.295 0.569 . . . . 0.0 111.443 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.549 ' HA ' HG22 ' A' ' 32' ' ' VAL . 4.2 mp -85.65 91.4 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -90.19 -30.66 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.666 -173.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CD ' HH21 ' A' ' 31' ' ' ARG . 36.2 tt0 -142.9 128.19 18.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.966 0.412 . . . . 0.0 111.296 -174.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -92.76 101.63 14.02 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.03 -54.85 35.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 112.075 -173.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' B' ' 70' ' ' ALA . 0.8 OUTLIER -149.5 114.71 5.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -172.08 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m -88.83 102.52 15.11 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' B' ' 63' ' ' GLU . 92.0 mt -74.1 -74.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.413 -175.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -157.68 151.66 24.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.228 0.537 . . . . 0.0 111.649 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 0.6 OUTLIER -89.06 115.94 26.98 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.111 170.539 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -110.57 165.02 12.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.492 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 65.13 -71.34 0.08 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.922 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . 36.6 ttmt -168.98 -61.28 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.12 17.28 7.11 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.905 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.463 ' HA ' ' O ' ' A' ' 46' ' ' TRP . 65.9 m95 -97.86 101.62 13.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.857 0.361 . . . . 0.0 110.465 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 22.8 m -86.57 137.71 32.29 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.053 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -114.42 115.84 27.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.567 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -148.67 154.38 39.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.1 -171.778 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.567 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 62.1 mt -100.03 123.39 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.951 176.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -123.46 166.8 14.77 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.23 0.538 . . . . 0.0 111.435 -174.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 53.6 ttp85 -122.82 107.16 11.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.093 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 11' ' ' ILE . 69.9 t -122.65 136.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.821 -170.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 10' ' ' GLU . 48.4 t -88.0 118.45 27.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.03 82.34 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.5 t30 53.31 26.07 4.98 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.268 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.92 174.49 25.81 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.033 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 71.05 153.12 0.14 Allowed Pre-proline 0 N--CA 1.467 0.393 0 C-N-CA 123.229 0.611 . . . . 0.0 111.12 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.16 40.11 0.43 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.104 2.536 . . . . 0.0 113.316 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HB1' ' HG2' ' A' ' 31' ' ' ARG . . . 67.81 114.43 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.47 0.708 . . . . 0.0 111.52 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 31' ' ' ARG . 32.6 mmtp -95.12 178.7 5.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.468 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -99.03 129.55 45.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.707 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.55 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 33.7 t70 -135.14 130.31 35.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.992 0.425 . . . . 0.0 110.404 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.58 HG22 HD13 ' B' ' 57' ' ' ILE . 54.7 mt -107.95 104.6 17.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.55 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 10.2 ttp180 -136.49 169.74 17.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.463 0.649 . . . . 0.0 111.977 -170.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.88 146.56 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.055 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' TRP . 84.7 m95 -115.81 133.67 55.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.324 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 p -81.4 166.35 38.77 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.483 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.0 65.38 0.97 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.481 2.121 . . . . 0.0 111.092 170.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t70 66.89 -171.29 0.19 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.533 -173.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 66.42 109.99 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.958 0.503 . . . . 0.0 110.207 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -46.92 109.28 0.19 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.868 0.842 . . . . 0.0 112.422 -175.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -153.11 150.68 29.35 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.501 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.48 175.77 9.33 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 178.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.99 -107.38 0.23 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.216 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -71.14 119.78 15.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.108 0.48 . . . . 0.0 110.379 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 43' ' ' ILE . . . 173.12 156.77 13.41 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.577 -176.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' B' ' 55' ' ' LYS . 10.9 tt -156.14 139.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 111.64 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.5 133.74 35.63 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.302 0.573 . . . . 0.0 111.225 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.8 mt -119.28 143.38 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.024 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 t -93.6 -173.25 3.13 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.24 -35.64 81.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.854 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.87 -57.97 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.251 -176.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.612 ' HG3' ' HB3' ' B' ' 19' ' ' SER . 1.8 mp0 -56.43 -44.32 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.351 . . . . 0.0 111.057 -178.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.5 t80 -61.84 -53.4 56.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.729 -175.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.672 ' HG2' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.38 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.394 -179.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.6 m -61.22 -49.45 77.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 64' ' ' PHE . 24.7 ptt? -61.95 -41.31 97.84 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.61 0.243 . . . . 0.0 110.463 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 89.7 t -54.5 -53.07 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.9 -48.67 77.96 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.049 0.452 . . . . 0.0 111.31 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.511 ' CB ' HD13 ' B' ' 16' ' ' LEU . . . -62.97 -36.25 82.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.898 -176.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 17.9 m-85 -72.8 -24.7 60.96 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.357 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 68' ' ' VAL . 26.0 mmtp -66.92 -32.28 73.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.515 0.674 . . . . 0.0 109.433 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.02 26.2 25.37 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.636 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.09 -67.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HG21 ' B' ' 68' ' ' VAL . 12.2 tp -88.53 -16.93 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.936 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 9.9 tp10 -69.23 103.48 1.95 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 110.394 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -139.17 117.45 11.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.64 -77.8 0.24 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.487 -176.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -165.42 148.98 8.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.191 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -133.96 78.77 1.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 171.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -78.45 132.11 37.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.898 -173.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 78.2 m80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.345 173.144 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.4 mtt . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.022 0.439 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -124.98 103.86 8.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -103.91 116.8 32.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.306 0.574 . . . . 0.0 111.788 -172.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.37 -169.94 2.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.308 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.39 73.86 9.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.099 0.476 . . . . 0.0 110.798 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -126.28 -176.48 3.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.387 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -123.04 170.48 10.12 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.806 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -96.94 161.28 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.986 0.422 . . . . 0.0 111.006 -172.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -117.73 139.43 51.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.98 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.05 116.95 26.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.765 0.317 . . . . 0.0 110.632 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.602 HG12 HG22 ' B' ' 32' ' ' VAL . 37.7 mt -83.34 93.03 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.92 -27.14 25.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.59 143.95 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 111.024 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -117.66 114.55 23.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.57 HD12 HG22 ' B' ' 29' ' ' ILE . 29.7 mt -68.38 -58.25 4.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.993 -175.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.511 HD13 ' CB ' ' A' ' 70' ' ' ALA . 1.1 pt? -167.88 140.67 3.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.115 0.483 . . . . 0.0 110.801 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.635 ' HA ' ' HG3' ' B' ' 28' ' ' GLU . 21.5 m -80.04 123.54 27.93 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 169.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 63' ' ' GLU . 78.9 mt -78.06 -71.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.873 0.368 . . . . 0.0 111.417 -171.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.612 ' HB3' ' HG3' ' A' ' 63' ' ' GLU . 35.0 t -158.27 159.16 35.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.185 -176.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -112.48 111.44 22.27 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -90.64 177.13 6.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.979 -174.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 23' ' ' LYS . 2.0 mp0 -50.78 146.92 5.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.81 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.588 ' HB2' ' HD1' ' B' ' 25' ' ' TRP . 34.7 mmtp 76.38 -5.94 2.09 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.206 0.942 . . . . 0.0 111.371 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.07 24.89 15.61 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.804 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.588 ' HD1' ' HB2' ' B' ' 23' ' ' LYS . 55.3 m95 -83.16 106.08 14.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' B' ' 46' ' ' TRP . 8.8 m -87.04 139.18 30.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.548 ' HD2' HD11 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -113.24 123.19 49.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.635 ' HG3' ' HA ' ' B' ' 17' ' ' THR . 39.2 tt0 -142.98 147.56 35.37 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.389 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.57 HG22 HD12 ' B' ' 15' ' ' LEU . 55.4 mt -114.74 114.35 46.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.432 174.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -134.36 175.87 9.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.287 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -116.22 121.14 41.18 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.602 HG22 HG12 ' B' ' 11' ' ' ILE . 16.0 t -124.26 134.52 66.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.546 -171.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.5 t -100.04 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -91.9 110.79 22.15 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.152 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 69.58 -57.84 0.53 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.795 0.685 . . . . 0.0 110.853 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.73 -158.99 15.63 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' B' ' 38' ' ' PRO . . . 70.73 165.99 0.13 Allowed Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.595 0.358 . . . . 0.0 111.228 177.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' B' ' 37' ' ' ALA . 70.9 Cg_exo -49.15 125.22 12.97 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.733 2.289 . . . . 0.0 112.553 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.51 126.02 25.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.54 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -102.39 169.49 8.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.561 ' HE2' ' HA ' ' B' ' 61' ' ' ASN . 43.1 m-85 -90.02 122.67 33.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.284 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.52 119.35 34.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.509 ' O ' ' HA2' ' B' ' 56' ' ' GLY . 53.6 mt -104.15 105.19 18.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -135.24 172.71 12.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.269 0.556 . . . . 0.0 111.803 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.8 147.29 38.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.132 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' TRP . . . . . 0.482 ' HB2' ' HB ' ' B' ' 26' ' ' THR . 91.6 m95 -107.73 134.19 51.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 -179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 7.4 m -93.08 150.07 38.6 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 -177.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 47' ' ' SER . 4.0 Cg_exo -75.65 41.16 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.361 2.707 . . . . 0.0 111.598 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.44 ' OD1' ' HE2' ' B' ' 52' ' ' LYS . 8.7 m-20 -150.19 -165.93 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.867 -176.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -81.53 44.17 0.79 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 65.2 m 69.58 104.78 0.06 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.936 -178.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.44 ' HE2' ' OD1' ' B' ' 49' ' ' ASP . 67.6 mttm -77.34 -68.09 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 171.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 63.2 ttp 178.4 -63.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.536 -1.211 . . . . 0.0 108.686 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.14 -135.85 24.61 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.793 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 57' ' ' ILE . 99.1 mttt -136.07 160.17 39.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' B' ' 43' ' ' ILE . . . 178.62 149.7 8.32 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.023 -177.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 43' ' ' ILE . 14.9 tt -145.02 140.58 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.1 p -96.32 126.81 41.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.176 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.8 mt -115.38 145.53 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.516 ' HB2' ' OE2' ' B' ' 63' ' ' GLU . 1.4 m -94.48 177.27 5.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.265 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.561 ' HA ' ' HE2' ' B' ' 41' ' ' PHE . 15.3 m120 -53.51 -44.31 69.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.398 -176.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.22 -50.05 20.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.527 ' HB3' HD13 ' A' ' 18' ' ' LEU . 1.7 mp0 -59.8 -35.75 75.32 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.981 0.42 . . . . 0.0 110.406 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.563 ' O ' ' HG2' ' B' ' 67' ' ' MET . 2.4 t80 -67.37 -48.15 68.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.733 -176.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.3 m -53.35 -44.99 68.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.441 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' B' ' 64' ' ' PHE . 14.8 ptt? -70.35 -31.63 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.966 -176.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 64' ' ' PHE . 94.8 t -57.88 -51.13 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.475 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' B' ' 72' ' ' LYS . 1.1 m-20 -62.45 -52.11 64.82 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.191 0.52 . . . . 0.0 111.577 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.556 ' HB3' HD11 ' A' ' 16' ' ' LEU . . . -62.44 -36.59 82.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.495 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -79.84 -4.59 52.84 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.437 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.641 ' HE2' ' HD2' ' A' ' 72' ' ' LYS . 15.1 ttmm -77.91 -28.16 49.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 164.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.56 -57.44 16.45 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.797 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.96 -82.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 65' ' ' GLN . 5.9 mp -76.07 158.72 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.181 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.615 ' HB2' ' O ' ' B' ' 75' ' ' LEU . 20.9 tt0 167.63 -45.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 170.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 8.1 t60 63.32 46.09 4.63 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.145 174.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -83.88 27.34 0.65 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.696 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -110.69 172.45 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -110.63 111.01 21.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.485 0.659 . . . . 0.0 109.626 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -77.83 -29.65 50.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.287 177.61 . . . . . . . . 0 0 . 1 stop_ save_